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US20070179154A1_p0033_x0508_y1894_c00018
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1500.cdx
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 CHO
M SBV 1 26 -5.2433 2.9959
M END
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Cc1cc2c(-c3cccc(C=O)c3)c(CC(=O)O)c(=O)oc2cc1Cl
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[C][C][=C][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][Cl]
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InChI=1S/C19H13ClO5/c1-10-5-13-16(8-15(10)20)25-19(24)14(7-17(22)23)18(13)12-4-2-3-11(6-12)9-21/h2-6,8-9H,7H2,1H3,(H,22,23)
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US20070117785A1_p0049_x0336_y0638_c00090
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1110.cdx
ChemDraw03300713352D
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M SBL 1 1 44
M SMT 1 Me
M SBV 1 44 -5.5255 1.8528
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 4 40 41 42 43
M SBL 2 1 45
M SMT 2 CF3
M SBV 2 45 -4.9614 2.8299
M END
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CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(n3ccc4ccc(Cl)cc43)CC2)C1
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[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][Branch1][C][O][C][N][C][C][C][Branch1][P][N][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Ring2][Ring2][#Branch1]
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InChI=1S/C30H33ClF3N5O3S/c1-43(41,42)37-14-11-27-26(19-37)29(21-2-5-22(6-3-21)30(32,33)34)35-39(27)18-25(40)17-36-12-9-24(10-13-36)38-15-8-20-4-7-23(31)16-28(20)38/h2-8,15-16,24-25,40H,9-14,17-19H2,1H3
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US20050054819A1_p0023_x1375_y1713_c00083
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0601.cdx
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M END
|
CC(C)(C)OC(=O)N[C@H](CO)CCCCNC(=O)OCc1ccccc1
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[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
InChI=1S/C19H30N2O5/c1-19(2,3)26-18(24)21-16(13-22)11-7-8-12-20-17(23)25-14-15-9-5-4-6-10-15/h4-6,9-10,16,22H,7-8,11-14H2,1-3H3,(H,20,23)(H,21,24)/t16-/m0/s1
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US20070117785A1_p0051_x0335_y1926_c00093
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1160.cdx
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39 40 1 0
39 41 1 0
39 42 1 0
23 43 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 39 40 41 42
M SBL 1 1 44
M SMT 1 CF3
M SBV 1 44 -5.1820 2.9137
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 43
M SBL 2 1 48
M SMT 2 Me
M SBV 2 48 -6.5942 3.1326
M END
|
Cn1c(=O)n(C2CCN(CC(O)Cn3cc(-c4ccncc4)c(-c4ccc(C(F)(F)F)cc4)n3)CC2)c2cc(Cl)ccc21
|
[C][N][C][=Branch1][C][=O][N][Branch2][Branch1][#Branch2][C][C][C][N][Branch2][Ring2][=C][C][C][Branch1][C][O][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring2][#Branch2]
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InChI=1S/C31H30ClF3N6O2/c1-38-27-7-6-23(32)16-28(27)41(30(38)43)24-10-14-39(15-11-24)17-25(42)18-40-19-26(20-8-12-36-13-9-20)29(37-40)21-2-4-22(5-3-21)31(33,34)35/h2-9,12-13,16,19,24-25,42H,10-11,14-15,17-18H2,1H3
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US20050227932A1_p0027_x1376_y2347_c00035
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0611.cdx
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M END
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C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1
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O=C1COc2ccc(Nc3cc(Cl)ncn3)cc2N1
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C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
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COc1ccc(-c2nc(CO[C@H]3CCC[C@@H](OCc4cccc(C)c4C(=O)O)C3)c(C)o2)cc1C
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 38
M SBL 1 1 42
M SMT 1 Me
M SBV 1 42 -5.3955 4.4153
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 39
M SBL 2 1 43
M SMT 2 Me
M SBV 2 43 -4.9033 3.5628
M END
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CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1
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[C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][Ring1][=N][C][C][Branch1][C][O][C][N][C][C][C][Branch1][S][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C][C][Ring2][Ring2][Ring2]
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InChI=1S/C29H33Cl3N4O3/c1-18-13-20(3-5-25(18)30)29-24-17-35(19(2)37)12-9-28(24)36(33-29)16-21(38)15-34-10-7-22(8-11-34)39-23-4-6-26(31)27(32)14-23/h3-6,13-14,21-22,38H,7-12,15-17H2,1-2H3
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US20050009817A1_p0015_x0592_y2614_c00053
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0361.cdx
ChemDraw12190419342D
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Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1
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[Cl][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C]
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InChI=1S/C16H11ClN2/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
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US20070155803A1_p0016_x0370_y2318_c00019
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M END
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CC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O]
|
InChI=1S/C25H31N7O4/c1-2-18(26)23(34)31-32-25(36)30-21(12-15-8-4-3-5-9-15)24(35)29-20(22(27)33)13-16-14-28-19-11-7-6-10-17(16)19/h3-11,14,18,20-21,28H,2,12-13,26H2,1H3,(H2,27,33)(H,29,35)(H,31,34)(H2,30,32,36)/t18-,20-,21-/m0/s1
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US20040266789A1_p0045_x1301_y1435_c00077
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1361.cdx
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M END
|
Cc1nc(-c2ccc(CSCC(NC(=O)OC(C)(C)C)C(=O)O)cc2)ccc1-c1cccc2c1oc1ccccc12
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[C][C][=N][C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][S][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
InChI=1S/C33H32N2O5S/c1-20-23(25-9-7-10-26-24-8-5-6-11-29(24)39-30(25)26)16-17-27(34-20)22-14-12-21(13-15-22)18-41-19-28(31(36)37)35-32(38)40-33(2,3)4/h5-17,28H,18-19H2,1-4H3,(H,35,38)(H,36,37)
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US20060154945A1_p0011_x1375_y2556_c00031
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0251.cdx
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M END
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O=C1O[C@]2(CN3CCC2CC3)CN1c1ccco1
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[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][=C][O][Ring1][Branch1]
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InChI=1S/C13H16N2O3/c16-12-15(11-2-1-7-17-11)9-13(18-12)8-14-5-3-10(13)4-6-14/h1-2,7,10H,3-6,8-9H2/t13-/m1/s1
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0230.cdx
ChemDraw10010711532D
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M END
|
[13*]c1cccc2c1cnn2C(C)(C)C
| null | ||
US20050004369A1_p0016_x0514_y2724_c00020
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0492.cdx
ChemDraw12020422342D
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M END
|
OB(O)c1ccc(-c2cccc3c2oc2ccccc23)cc1
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[O][B][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
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InChI=1S/C18H13BO3/c20-19(21)13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)22-18(14)16/h1-11,20-21H
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/C(O)CC2CC2)cc1
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M END
|
O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)C2(Cc3ccccc3)CCC2)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O][C][=C][Ring2][Ring1][=N]
|
InChI=1S/C27H31NO4/c29-24(27(16-4-17-27)19-21-5-2-1-3-6-21)13-11-23-12-14-25(30)28(23)18-15-20-7-9-22(10-8-20)26(31)32/h1-3,5-11,13,23-24,29H,4,12,14-19H2,(H,31,32)/b13-11+/t23-,24+/m0/s1
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US20070179154A1_p0032_x0581_y2255_c00016
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1460.cdx
ChemDraw07060712552D
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M END
|
O=C(c1cccc(Br)c1)c1ccc(Cl)cc1O
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[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
InChI=1S/C13H8BrClO2/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,16H
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US20080113922A1_p0020_x0364_y2692_c00060
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00065001.cdx
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M END
|
CCOc1ccc(Cc2cc([C@H]3[C@H](O)[C@@H](O)[C@H](O)CN3C)ccc2Cl)cc1
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][C][Branch2][Ring1][Ring1][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][N][Ring1][=Branch2][C][=C][C][=C][Ring1][S][Cl][C][=C][Ring2][Ring1][Branch2]
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InChI=1S/C21H26ClNO4/c1-3-27-16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)22)19-21(26)20(25)18(24)12-23(19)2/h4-9,11,18-21,24-26H,3,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
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US20050054819A1_p0014_x0404_y2710_c00045
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0361.cdx
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M END
|
CCCC[C@H](N:O)C(=O)OC
|
[C][C][C][C][C@H1][Branch1][Ring1][N][=O][C][=Branch1][C][=O][O][C]
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US20040254236A1_p0031_x1501_y1967_c00135
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0700.cdx
ChemDraw11150410192D
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 23
M SBL 1 1 25
M SMT 1 Me
M SBV 1 25 -5.1856 4.2978
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 24
M SBL 2 1 26
M SMT 2 Me
M SBV 2 26 -5.1856 2.8689
M END
|
CONC(=O)c1ccc(C)c(Nc2nnc(-c3ccccc3)[nH]2)c1
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[C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][O][=C][Ring2][Ring1][Ring1]
|
InChI=1S/C17H17N5O2/c1-11-8-9-13(16(23)22-24-2)10-14(11)18-17-19-15(20-21-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,22,23)(H2,18,19,20,21)
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US20070049758A1_p0015_x0485_y1893_c00011
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0330.cdx
ChemDraw01070713252D
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M ISO 1 19 2
A 7
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A 16
NHR7
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NHR8
M END
| null | null | null |
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US20070155803A1_p0030_x0466_y2591_c00077
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0622.cdx
ChemDraw05240722292D
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M END
|
CC[C@H](N)C(=O)NNC(=O)NCc1ccccc1SC
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[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C]
|
InChI=1S/C13H20N4O2S/c1-3-10(14)12(18)16-17-13(19)15-8-9-6-4-5-7-11(9)20-2/h4-7,10H,3,8,14H2,1-2H3,(H,16,18)(H2,15,17,19)/t10-/m0/s1
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US20060281700A1_p0073_x1445_y0674_c00116
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0021.cdx
ChemDraw11040608302D
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31 32 1 0
32 28 1 0
M END
|
CO/N=C/c1c(N)ncnc1N1CCC(NC(=O)Nc2ccc(OC3CCCC3)nc2)C1
|
[C][O][/N][=C][/C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][N][C][Ring2][Ring1][Branch1]
|
InChI=1S/C21H28N8O3/c1-31-26-11-17-19(22)24-13-25-20(17)29-9-8-15(12-29)28-21(30)27-14-6-7-18(23-10-14)32-16-4-2-3-5-16/h6-7,10-11,13,15-16H,2-5,8-9,12H2,1H3,(H2,22,24,25)(H2,27,28,30)/b26-11+
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US20070265270A1_p0025_x1396_y1558_c00101
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0541.cdx
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M END
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COCCOc1ccc2c(cnn2-c2cnnc3cc(OC)c(OC)cc23)c1
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[C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=N][N][Ring1][Branch1][C][=C][N][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1]
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InChI=1S/C20H20N4O4/c1-25-6-7-28-14-4-5-17-13(8-14)11-22-24(17)18-12-21-23-16-10-20(27-3)19(26-2)9-15(16)18/h4-5,8-12H,6-7H2,1-3H3
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US20050288357A1_p0053_x1477_y0924_c00103
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1011.cdx
ChemDraw11280510462D
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 27 28 29
M SBL 1 1 29
M SMT 1 CO2H
M SBV 1 29 -4.6635 3.7074
M END
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/C(O)CCN2CCOCC2)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
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InChI=1S/C22H30N2O5/c25-20(10-11-23-13-15-29-16-14-23)7-5-19-6-8-21(26)24(19)12-9-17-1-3-18(4-2-17)22(27)28/h1-5,7,19-20,25H,6,8-16H2,(H,27,28)/b7-5+/t19-,20?/m0/s1
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US20050267177A1_p0017_x0350_y2741_c00037
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M END
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Cc1cccc(O[C@@H]2CCC[C@H](OCc3coc(-c4ccc(F)cc4)n3)C2)c1C(=O)O
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[C][C][=C][C][=C][C][Branch2][Ring2][Ring2][O][C@@H1][C][C][C][C@H1][Branch2][Ring1][#Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O][C][=Branch1][C][=O][O]
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InChI=1S/C24H24FNO5/c1-15-4-2-7-21(22(15)24(27)28)31-20-6-3-5-19(12-20)29-13-18-14-30-23(26-18)16-8-10-17(25)11-9-16/h2,4,7-11,14,19-20H,3,5-6,12-13H2,1H3,(H,27,28)/t19-,20+/m0/s1
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US20070270434A1_p0021_x0352_y1955_c00053
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M STY 1 1 SUP
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M SBL 1 1 35
M SMT 1 CF3
M SBV 1 35 -4.9988 15.4908
M END
|
C[C@@H]1CN(CCc2ccc(C(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
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[C][C@@H1][C][N][Branch2][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
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InChI=1S/C25H29F3N2O4S/c1-16-14-29(11-10-18-6-8-21(9-7-18)25(26,27)28)15-17(2)30(16)35(33,34)23-5-3-4-19-12-20(24(31)32)13-22(19)23/h3-9,16-17,20H,10-15H2,1-2H3,(H,31,32)/t16-,17+,20?
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US20070117785A1_p0057_x0335_y0868_c00106
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M SBL 1 1 44
M SMT 1 CF3
M SBV 1 44 -5.2292 3.2255
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 43
M SBL 2 1 48
M SMT 2 Me
M SBV 2 48 -6.6439 3.0240
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 1 44
M SBL 3 1 49
M SMT 3 Me
M SBV 3 49 -5.7393 2.3299
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 1 45
M SBL 4 1 50
M SMT 4 Me
M SBV 4 50 -5.4172 2.5159
M END
|
Cc1ccc2c(c1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
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[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Branch1][#C][C][C][C][N][Branch2][Branch1][Ring1][C][C][Branch1][C][O][C][N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][Ring2][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring2][Branch2][C]
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InChI=1S/C31H37F3N6O4S/c1-20-4-9-27-28(16-20)40(30(42)36(27)2)23-10-13-37(14-11-23)17-24(41)18-39-26-12-15-38(45(3,43)44)19-25(26)29(35-39)21-5-7-22(8-6-21)31(32,33)34/h4-9,16,23-24,41H,10-15,17-19H2,1-3H3
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0.1457 -1.2173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
0.9303 -1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
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5 7 1 0
17 7 1 1
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15 20 2 0
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14 21 1 0
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22 23 1 0
23 24 1 0
24 14 2 0
M END
|
O=C1O[C@]2(CN3CCC2CC3)CN1C1=[SH]C(c2cccnc2)=CS1
|
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=SH1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O]
|
InChI=1S/C17H19N3O2S2/c21-15-20(11-17(22-15)10-19-6-3-13(17)4-7-19)16-23-9-14(24-16)12-2-1-5-18-8-12/h1-2,5,8-9,13,24H,3-4,6-7,10-11H2/t17-/m1/s1
|
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US20040254236A1_p0037_x0488_y1434_c00146
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0810.cdx
ChemDraw11150410322D
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28 22 1 0
3 29 1 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 29
M SBL 1 1 32
M SMT 1 Me
M SBV 1 32 -4.8843 4.7193
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 30
M SBL 2 1 33
M SMT 2 Me
M SBV 2 33 -5.1863 5.8463
M END
|
Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(C)c(C(=O)OCc2ccccc2)s1
|
[C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=N][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S]
|
InChI=1S/C23H23N3O3S/c1-14-8-9-17(21(27)25-18-10-11-18)12-19(14)26-23-24-15(2)20(30-23)22(28)29-13-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3,(H,24,26)(H,25,27)
|
|
US20050009817A1_p0009_x0579_y1706_c00011
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0220.cdx
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0.3020 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6 1 1 0
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3 8 1 0
5 9 1 0
9 10 1 0
A 10
(R3)p
M END
|
[4*]c1nc([10*])nc(*C)n1
| null | ||
US20050182067A1_p0048_x0765_y1900_c00165
|
0006.cdx
ChemDraw07280514242D
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-1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3572 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0717 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4125 0.0000 R4 0 0 0 0 0 0 0 0 0 0 0 0
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A 7
Q
M END
|
[4*]Oc1cc(C)cnn1
| null | ||
US20050004369A1_p0020_x1309_y2129_c00029
|
0620.cdx
ChemDraw12020422522D
42 46 0 0 0 0 0 0 0 0999 V2000
-3.3545 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1604 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2149 1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8634 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1604 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9178 1.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2693 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.3238 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.0813 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3783 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
|
CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCCCc3ccccc3)c(NC(=O)C(=O)O)c2)cc1
|
[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][=N][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
InChI=1S/C36H35NO5/c1-2-3-14-33-30(29-13-7-8-15-32(29)42-33)23-26-16-18-27(19-17-26)28-20-21-34(31(24-28)37-35(38)36(39)40)41-22-9-12-25-10-5-4-6-11-25/h4-8,10-11,13,15-21,24H,2-3,9,12,14,22-23H2,1H3,(H,37,38)(H,39,40)
|
|
US20070179154A1_p0055_x0330_y2598_c00115
|
2060.cdx
ChemDraw06200711092D
47 52 0 0 0 0 0 0 0 0999 V2000
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4.2277 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6237 0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4356 1.2204 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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0.6040 -0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6040 -2.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2079 -1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2079 -1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8119 -2.2665 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
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42 37 1 0
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30 44 1 0
44 45 1 0
44 46 1 0
44 47 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 44 45 46 47
M SBL 1 1 49
M SMT 1 CF3
M SBV 1 49 -5.4928 2.8208
M END
|
O=C(Cc1c(-c2cccc(Br)c2)c2cc(CN3CCN(c4ccccc4)CC3)c(Cl)cc2oc1=O)Nc1ccc(F)cc1C(F)(F)F
|
[O][=C][Branch2][Branch1][=Branch2][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][#C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
InChI=1S/C35H27BrClF4N3O3/c36-23-6-4-5-21(15-23)33-26-16-22(20-43-11-13-44(14-12-43)25-7-2-1-3-8-25)29(37)19-31(26)47-34(46)27(33)18-32(45)42-30-10-9-24(38)17-28(30)35(39,40)41/h1-10,15-17,19H,11-14,18,20H2,(H,42,45)
|
|
US20070155803A1_p0023_x0414_y2475_c00048
|
0481.cdx
ChemDraw05240721532D
20 21 0 0 0 0 0 0 0 0999 V2000
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2.2231 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2231 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
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4 6 1 0
6 7 1 0
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7 9 1 0
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2 12 1 1
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13 14 1 0
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15 16 1 0
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18 19 1 0
19 20 1 0
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M END
|
C[C@H](N)C(=O)NNC(=O)NCc1ccc2c(c1)OCO2
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
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InChI=1S/C12H16N4O4/c1-7(13)11(17)15-16-12(18)14-5-8-2-3-9-10(4-8)20-6-19-9/h2-4,7H,5-6,13H2,1H3,(H,15,17)(H2,14,16,18)/t7-/m0/s1
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O=C1O[C@]2(CN3CCC2CC3)CN1c1ccoc1
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InChI=1S/C13H16N2O3/c16-12-15(11-3-6-17-7-11)9-13(18-12)8-14-4-1-10(13)2-5-14/h3,6-7,10H,1-2,4-5,8-9H2/t13-/m1/s1
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COc1ccc2c(c1)c(CCNC(=O)c1ccc(C)cc1)c(C)n2Cc1ccc(Br)cc1
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[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
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US20070265270A1_p0030_x0514_y2473_c00121
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COc1cc2nncc(N3CCCC(N4CCCCC4=O)C3)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Ring2][N][C][C][C][C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][Ring1][=N][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C]
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InChI=1S/C20H26N4O3/c1-26-18-10-15-16(11-19(18)27-2)22-21-12-17(15)23-8-5-6-14(13-23)24-9-4-3-7-20(24)25/h10-12,14H,3-9,13H2,1-2H3
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US20040229890A1_p0013_x1457_y0666_c00057
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0301.cdx
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M END
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Cn1ccc2c3c(N(Cc4ccccc4)Cc4ccccc4)nc(N)nc3cc(-c3ccccc3C(F)(F)F)c21
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[C][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][N][=N][C][Ring2][Ring1][=Branch1][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][Ring2][Ring2][Ring2][#Branch1]
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InChI=1S/C32H26F3N5/c1-39-17-16-24-28-27(18-25(29(24)39)23-14-8-9-15-26(23)32(33,34)35)37-31(36)38-30(28)40(19-21-10-4-2-5-11-21)20-22-12-6-3-7-13-22/h2-18H,19-20H2,1H3,(H2,36,37,38)
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00038001.cdx
ChemDraw06290713002D
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M STY 1 1 SUP
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M END
|
C[C@@H]1CN(Cc2ccc(SC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
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[C][C@@H1][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
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InChI=1S/C24H27F3N2O4S2/c1-15-12-28(14-17-6-8-20(9-7-17)34-24(25,26)27)13-16(2)29(15)35(32,33)22-5-3-4-18-10-19(23(30)31)11-21(18)22/h3-9,15-16,19H,10-14H2,1-2H3,(H,30,31)/t15-,16+,19?
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US20070117785A1_p0058_x1310_y2613_c00117
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M SLB 1 1 1
M SAL 1 1 40
M SBL 1 1 45
M SMT 1 Me
M SBV 1 45 -4.8635 3.2570
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 41
M SBL 2 1 46
M SMT 2 Me
M SBV 2 46 -6.3697 3.2570
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COc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(O)Cn2nc(-c3ccc(Br)cc3)c3c2CCN(C(C)=O)C3)CC1
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[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][N][Branch2][Ring2][Branch2][C][C][Branch1][C][O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][=Branch2][C][C][Ring2][Ring1][=N]
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InChI=1S/C30H35BrN6O4/c1-19(38)35-14-11-27-25(18-35)29(20-3-5-21(31)6-4-20)33-36(27)17-23(39)16-34-12-9-22(10-13-34)37-28-8-7-24(41-2)15-26(28)32-30(37)40/h3-8,15,22-23,39H,9-14,16-18H2,1-2H3,(H,32,40)
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US20050288357A1_p0011_x0515_y2444_c00008
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0160.cdx
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 28 29 30
M SBL 1 1 31
M SMT 1 CO2H
M SBV 1 31 -4.8020 3.0947
M END
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O=C(O)c1ccc(CCN2C(=O)CCC2/C=C/C[C@H](O)C2(CC3CC3)CCC2)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][/C][=C][/C][C@H1][Branch1][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][O]
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InChI=1S/C25H33NO4/c27-22(25(14-2-15-25)17-19-5-6-19)4-1-3-21-11-12-23(28)26(21)16-13-18-7-9-20(10-8-18)24(29)30/h1,3,7-10,19,21-22,27H,2,4-6,11-17H2,(H,29,30)/b3-1+/t21?,22-/m0/s1
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US20050009817A1_p0031_x1534_y2112_c00090
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0562.cdx
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M END
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CCCCc1ccc(-c2nc(Cl)nc3ccc(Br)cc23)cc1
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[C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][C][Cl][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][#Branch1][C][=C][Ring2][Ring1][C]
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InChI=1S/C18H16BrClN2/c1-2-3-4-12-5-7-13(8-6-12)17-15-11-14(19)9-10-16(15)21-18(20)22-17/h5-11H,2-4H2,1H3
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US20070049758A1_p0025_x0421_y2581_c00049
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0036.cdx
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M END
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C#Cc1cc(Oc2cnc(NCCN3CCOCC3)nc2N)c(C(C)C)cc1OC
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[C][#C][C][=C][C][Branch2][Ring1][Branch2][O][C][=C][N][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][#C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2][O][C]
|
InChI=1S/C22H29N5O3/c1-5-16-12-19(17(15(2)3)13-18(16)28-4)30-20-14-25-22(26-21(20)23)24-6-7-27-8-10-29-11-9-27/h1,12-15H,6-11H2,2-4H3,(H3,23,24,25,26)
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US20070105909A1_p0034_x0426_y2575_c00107
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0521.cdx
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22 30 1 0
M END
|
N#Cc1ccc(Oc2c(C3CC3)nn(CS(=O)(=O)c3ccccc3)c2C2CC2)cc1
|
[N][#C][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][N]
|
InChI=1S/C23H21N3O3S/c24-14-16-6-12-19(13-7-16)29-23-21(17-8-9-17)25-26(22(23)18-10-11-18)15-30(27,28)20-4-2-1-3-5-20/h1-7,12-13,17-18H,8-11,15H2
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US20050009817A1_p0018_x0606_y0669_c00059
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0001.cdx
ChemDraw12150415482D
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21 22 2 0
22 23 1 0
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24 12 1 0
17 25 1 0
25 26 2 0
25 27 2 0
25 28 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 25 26 27 28
M SBL 1 1 28
M SMT 1 SO2NH2
M SBV 1 28 -3.3738 3.6706
M END
|
NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2]
|
InChI=1S/C20H15BrN4O2S/c21-14-6-11-18-17(12-14)19(13-4-2-1-3-5-13)25-20(24-18)23-15-7-9-16(10-8-15)28(22,26)27/h1-12H,(H2,22,26,27)(H,23,24,25)
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US20070049758A1_p0026_x0450_y1954_c00052
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0039.cdx
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M END
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C#Cc1cc(Oc2cnc(NC3CCOCC3)nc2N)c(C(C)C)cc1OC
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[C][#C][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][N][=C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][O][C]
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InChI=1S/C21H26N4O3/c1-5-14-10-18(16(13(2)3)11-17(14)26-4)28-19-12-23-21(25-20(19)22)24-15-6-8-27-9-7-15/h1,10-13,15H,6-9H2,2-4H3,(H3,22,23,24,25)
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US20050009817A1_p0029_x0563_y1555_c00085
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0027.cdx
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M END
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CCc1ccc(-c2sc(-n3cc(C(=O)CCC(=O)O)c4cc(Cl)ccc43)nc2-c2ccc(Cl)cc2)cc1
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[C][C][C][=C][C][=C][Branch2][Branch1][Ring2][C][S][C][Branch2][Ring1][=C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][C][=Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][Ring1]
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InChI=1S/C29H22Cl2N2O3S/c1-2-17-3-5-19(6-4-17)28-27(18-7-9-20(30)10-8-18)32-29(37-28)33-16-23(25(34)13-14-26(35)36)22-15-21(31)11-12-24(22)33/h3-12,15-16H,2,13-14H2,1H3,(H,35,36)
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US20050288357A1_p0046_x1466_y1399_c00082
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0881.cdx
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M END
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/C(O)C2(CCc3ccccc3)CCC2)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][N][C][=C][Ring2][Ring1][=C]
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InChI=1S/C28H33NO4/c30-25(28(17-4-18-28)19-15-21-5-2-1-3-6-21)13-11-24-12-14-26(31)29(24)20-16-22-7-9-23(10-8-22)27(32)33/h1-3,5-11,13,24-25,30H,4,12,14-20H2,(H,32,33)/b13-11+/t24-,25?/m0/s1
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US20050182067A1_p0030_x0419_y2518_c00102
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0590.cdx
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|
Nc1nc2c(Oc3cc(C4=CCC(C(F)(F)F)CC4)ncn3)cccc2s1
|
[N][C][=N][C][=C][Branch2][Ring1][#C][O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][=N][C][=N][Ring1][S][C][=C][C][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
|
InChI=1S/C18H15F3N4OS/c19-18(20,21)11-6-4-10(5-7-11)12-8-15(24-9-23-12)26-13-2-1-3-14-16(13)25-17(22)27-14/h1-4,8-9,11H,5-7H2,(H2,22,25)
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US20040229890A1_p0014_x0523_y0589_c00059
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0311.cdx
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M END
|
CCN(CC)c1nc(N)nc2cc(-c3ccccc3C(F)(F)F)c3c(ccn3C)c12
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring2]
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InChI=1S/C22H22F3N5/c1-4-30(5-2)20-18-14-10-11-29(3)19(14)15(12-17(18)27-21(26)28-20)13-8-6-7-9-16(13)22(23,24)25/h6-12H,4-5H2,1-3H3,(H2,26,27,28)
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US20050288357A1_p0024_x0515_y2659_c00051
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0421.cdx
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M STY 1 1 SUP
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M SBL 1 1 27
M SMT 1 CO2H
M SBV 1 27 -4.8020 3.3188
M END
|
CCCCC(C)(C)C(O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
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[C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
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CC(c1ccc(F)cc1)N1CCN(c2cc(Nc3ccc4c(c3)OCCO4)ncn2)CC1
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[C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][=N][C][=C][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][C][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1]
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BrCc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[Br][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
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0830.cdx
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O=C(O)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
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[O][=C][Branch1][C][O][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
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NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)NNC(=O)C1(N)CCCCC1
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[N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][C][Ring1][#Branch1]
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O=c1[nH]c(=O)c2cc(Br)ccc2[nH]1
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[O][=C][NH1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][Ring1][N]
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CC(C)c1ccccn1
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M END
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COc1cccc(-c2cc(-c3cccc(OC)c3)nc(-n3cc(C(=O)CCC(=O)O)c4cc(Br)ccc43)n2)c1
|
[C][O][C][=C][C][=C][C][Branch2][Branch1][Branch2][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][C][Branch2][Ring1][=C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1]
|
InChI=1S/C30H24BrN3O5/c1-38-21-7-3-5-18(13-21)25-16-26(19-6-4-8-22(14-19)39-2)33-30(32-25)34-17-24(28(35)11-12-29(36)37)23-15-20(31)9-10-27(23)34/h3-10,13-17H,11-12H2,1-2H3,(H,36,37)
|
|
US20070270434A1_p0022_x0334_y1026_c00056
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00059001.cdx
ChemDraw06290711412D
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3.1914 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5126 -0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2743 -1.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8811 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2991 -1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5846 -0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1721 -1.5085 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.8701 -0.3816 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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15 17 1 0
17 18 1 0
18 19 1 0
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20 21 1 0
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19 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
28 29 1 0
29 30 2 0
30 25 1 0
17 31 1 1
21 32 1 1
28 33 1 0
33 34 1 0
34 35 1 0
34 36 1 0
34 37 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 5 33 34 35 36 37
M SBL 1 1 36
M SMT 1 OCF3
M SBV 1 36 -4.3286 2.8933
M END
|
C[C@@H]1CN(CCCc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
|
[C][C@@H1][C][N][Branch2][Ring1][#Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
|
InChI=1S/C26H31F3N2O5S/c1-17-15-30(12-4-5-19-8-10-22(11-9-19)36-26(27,28)29)16-18(2)31(17)37(34,35)24-7-3-6-20-13-21(25(32)33)14-23(20)24/h3,6-11,17-18,21H,4-5,12-16H2,1-2H3,(H,32,33)/t17-,18+,21?
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|
US20070179154A1_p0042_x1376_y1828_c00057
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1770.cdx
ChemDraw06200722592D
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2.1434 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5724 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1434 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 2.1656 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1434 -0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7862 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2151 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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15 18 2 0
18 19 1 0
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28 29 2 0
29 24 1 0
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30 31 1 0
31 32 1 0
2 33 1 0
18 34 1 0
34 35 1 0
34 36 1 0
34 37 1 0
32 38 1 0
38 39 2 0
38 40 1 0
40 41 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 33
M SBL 1 1 36
M SMT 1 Me
M SBV 1 36 -6.3352 16.9770
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 4 34 35 36 37
M SBL 2 1 37
M SMT 2 CF3
M SBV 2 37 -5.6207 16.5645
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 4 38 39 40 41
M SBL 3 1 41
M SMT 3 CO2Me
M SBV 3 41 -5.2634 17.5957
M END
|
COC(=O)CCCc1cccc(-c2c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc3cc(Cl)c(C)cc23)c1
|
[C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring2][Ring1][N][Ring1][Branch2][=C][Ring2][Ring2][C]
|
InChI=1S/C30H24ClF4NO5/c1-16-11-20-25(15-23(16)31)41-29(39)21(14-26(37)36-24-10-9-19(32)13-22(24)30(33,34)35)28(20)18-7-3-5-17(12-18)6-4-8-27(38)40-2/h3,5,7,9-13,15H,4,6,8,14H2,1-2H3,(H,36,37)
|
|
US20070105909A1_p0022_x0484_y0984_c00045
|
0012.cdx
ChemDraw03290720042D
12 12 0 0 0 0 0 0 0 0999 V2000
-1.0717 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4842 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6592 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.4678 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.1822 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
5 7 1 0
7 8 1 0
7 9 1 0
7 10 1 0
11 1 1 0
2 12 1 0
M END
|
CC(C)(C)c1ccc(F)c(F)c1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
|
InChI=1S/C10H12F2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,1-3H3
|
|
US20050288357A1_p0011_x0515_y0976_c00006
|
0150.cdx
ChemDraw11280509212D
26 27 0 0 0 0 0 0 0 0999 V2000
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-2.5006 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1681 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.3869 -1.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3102 1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4536 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4536 2.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 1 1 0
4 6 2 0
2 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 11 1 0
10 12 1 6
11 13 1 0
13 14 1 0
14 15 1 0
3 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 18 1 0
21 24 1 0
24 25 2 0
24 26 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 24 25 26
M SBL 1 1 25
M SMT 1 CO2H
M SBV 1 25 -4.8020 2.5895
M END
|
CCCC[C@@H](O)C/C=C/C1CCC(=O)N1CCc1ccc(C(=O)O)cc1
|
[C][C][C][C][C@@H1][Branch1][C][O][C][/C][=C][/C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
InChI=1S/C21H29NO4/c1-2-3-6-19(23)7-4-5-18-12-13-20(24)22(18)15-14-16-8-10-17(11-9-16)21(25)26/h4-5,8-11,18-19,23H,2-3,6-7,12-15H2,1H3,(H,25,26)/b5-4+/t18?,19-/m1/s1
|
|
US20060281700A1_p0062_x0402_y1072_c00039
|
0590.cdx
ChemDraw10260611152D
15 15 0 0 0 0 0 0 0 0999 V2000
3.4743 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2993 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7118 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2993 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4743 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0618 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2368 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0553 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7697 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4842 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7697 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8868 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7118 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
9 11 2 0
10 12 1 0
12 13 1 4
12 14 1 4
12 15 1 0
A 7
C1C6 alkyl
A 10
C1C6 alkyl
M END
|
CC(C)(C)CC(=O)NCc1ccccc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
InChI=1S/C13H19NO/c1-13(2,3)9-12(15)14-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
|
|
US20050288357A1_p0041_x0505_y2274_c00074
|
0781.cdx
ChemDraw11280510002D
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0.0669 0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8638 0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 1.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4367 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1156 -1.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 2.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 3.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5075 2.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 4 1 0
4 5 1 0
5 1 1 0
2 3 1 0
5 6 2 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 9 1 0
3 15 1 1
15 16 1 0
16 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
19 24 1 0
24 25 1 0
25 26 1 0
26 19 1 0
12 27 1 0
27 28 2 0
27 29 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 27 28 29
M SBL 1 1 29
M SMT 1 CO2H
M SBV 1 29 -4.9842 3.2616
M END
|
CCCCC1(C(O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1
|
[C][C][C][C][C][Branch2][Ring2][C][C][Branch1][C][O][C][C][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][C][Ring2][Ring1][=Branch2]
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CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
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[C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
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InChI=1S/C23H33NO4/c1-4-5-15-23(2,3)20(25)12-10-19-11-13-21(26)24(19)16-14-17-6-8-18(9-7-17)22(27)28/h6-10,12,19-20,25H,4-5,11,13-16H2,1-3H3,(H,27,28)/b12-10+/t19-,20+/m0/s1
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US20070265270A1_p0028_x0567_y2328_c00111
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COc1cc2nncc(-c3ccc4c(c3)OCCN4C)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][N][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C]
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InChI=1S/C19H19N3O3/c1-22-6-7-25-17-8-12(4-5-16(17)22)14-11-20-21-15-10-19(24-3)18(23-2)9-13(14)15/h4-5,8-11H,6-7H2,1-3H3
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CC1(C)OB(C2=CCC(C(F)(F)F)CC2)OC1(C)C
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[C][C][Branch1][C][C][O][B][Branch2][Ring1][Ring1][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][O][C][Ring1][S][Branch1][C][C][C]
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InChI=1S/C13H20BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h7,9H,5-6,8H2,1-4H3
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0710.cdx
ChemDraw12020423052D
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COC(=O)CCSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
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[C][O][C][=Branch1][C][=O][C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
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InChI=1S/C29H24O3S/c1-31-28(30)17-18-33-19-20-9-11-21(12-10-20)22-13-15-23(16-14-22)24-6-4-7-26-25-5-2-3-8-27(25)32-29(24)26/h2-16H,17-19H2,1H3
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M STY 1 2 SUP
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M END
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Cc1cc2c(-c3cccc(/C=C/c4nnn[nH]4)c3)c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc2cc1Cl
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[C][C][=C][C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][/C][=C][/C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring1][=N][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][Cl]
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ChemDraw05240722282D
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CC[C@H](N)C(=O)NNC(=O)NCc1ccccc1N1CCCCC1
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[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1]
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InChI=1S/C17H27N5O2/c1-2-14(18)16(23)20-21-17(24)19-12-13-8-4-5-9-15(13)22-10-6-3-7-11-22/h4-5,8-9,14H,2-3,6-7,10-12,18H2,1H3,(H,20,23)(H2,19,21,24)/t14-/m0/s1
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US20050267177A1_p0023_x0348_y0648_c00071
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0720.cdx
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M END
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Cc1cccc(CO[C@H]2CCCC[C@@H]2OCc2coc(-c3ccc(F)cc3)n2)c1C(=O)O
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[C][C][=C][C][=C][C][Branch2][Ring1][P][C][O][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O]
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InChI=1S/C25H26FNO5/c1-16-5-4-6-18(23(16)25(28)29)13-30-21-7-2-3-8-22(21)31-14-20-15-32-24(27-20)17-9-11-19(26)12-10-17/h4-6,9-12,15,21-22H,2-3,7-8,13-14H2,1H3,(H,28,29)/t21-,22-/m0/s1
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US20040266789A1_p0018_x0414_y2042_c00028
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0500.cdx
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21 22 1 0
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25 20 1 0
23 26 1 0
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M END
|
OCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
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[O][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
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InChI=1S/C25H18O2/c26-16-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-5-3-6-23-22-4-1-2-7-24(22)27-25(21)23/h1-15,26H,16H2
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US20040266789A1_p0026_x0329_y1197_c00045
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0750.cdx
ChemDraw11280400432D
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M END
|
CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1-c1ccc(-c2cccc3c2oc2ccccc23)cc1)C(=O)O
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][O][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O]
|
InChI=1S/C33H31NO5S/c1-33(2,3)39-32(37)34-28(31(35)36)20-40-19-23-9-4-5-10-24(23)21-15-17-22(18-16-21)25-12-8-13-27-26-11-6-7-14-29(26)38-30(25)27/h4-18,28H,19-20H2,1-3H3,(H,34,37)(H,35,36)/t28-/m0/s1
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US20050009817A1_p0017_x0336_y1617_c00057
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0400.cdx
ChemDraw12190419422D
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1.2982 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7732 -0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4232 -0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 0
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38 40 1 0
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M END
|
C[Si](C)(C)CCOC(=O)CCC(=O)c1cn(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccc(Cl)cc12
|
[C][Si][Branch1][C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][N][Ring1][#Branch1]
|
InChI=1S/C33H32ClN3O3Si/c1-41(2,3)19-18-40-32(39)17-16-31(38)27-22-37(30-15-14-25(34)20-26(27)30)33-35-28(23-10-6-4-7-11-23)21-29(36-33)24-12-8-5-9-13-24/h4-15,20-22H,16-19H2,1-3H3
|
|
US20050009817A1_p0033_x1511_y0859_c00097
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0610.cdx
ChemDraw12190420042D
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6 1 1 0
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8 9 1 0
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2 20 1 0
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14 15 2 0
15 16 1 0
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20 21 1 0
21 22 1 0
22 18 2 0
M END
|
Clc1nc(-c2ccccn2)c2cc(-c3ccco3)ccc2n1
|
[Cl][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][O][=N][Ring2][Ring1][Branch1]
|
InChI=1S/C17H10ClN3O/c18-17-20-13-7-6-11(15-5-3-9-22-15)10-12(13)16(21-17)14-4-1-2-8-19-14/h1-10H
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US20070270434A1_p0023_x0335_y2193_c00062
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00065001.cdx
ChemDraw06290712042D
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2.8162 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2287 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9912 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6412 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4662 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0537 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2912 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
6 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
11 14 1 0
7 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 7 1 0
15 20 1 0
20 21 1 0
21 22 2 0
22 16 1 0
21 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 22 1 0
14 27 1 0
27 28 1 0
27 29 1 0
29 30 1 0
29 31 2 0
30 32 1 0
32 33 1 0
32 34 1 0
32 35 1 0
28 36 1 0
36 37 2 0
36 38 1 0
M END
|
CC(C)(C)OC(=O)N(CC(=O)O)Cc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
InChI=1S/C32H29NO5/c1-32(2,3)38-31(36)33(20-29(34)35)19-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25-8-6-9-27-26-7-4-5-10-28(26)37-30(25)27/h4-18H,19-20H2,1-3H3,(H,34,35)
|
|
US20070265270A1_p0030_x1511_y0632_c00122
|
0631.cdx
ChemDraw10080710042D
27 30 0 0 0 0 0 0 0 0999 V2000
-1.4289 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.1098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.6973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -3.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5559 3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7309 3.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8109 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
2 12 1 0
12 13 1 0
10 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 14 1 0
11 20 1 0
16 21 1 4
21 22 2 0
21 26 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 23 1 0
M END
|
COc1cc2nncc(N3CCCC(C(=O)N4CCCC4)C3)c2cc1OC
|
[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C]
|
InChI=1S/C20H26N4O3/c1-26-18-10-15-16(11-19(18)27-2)22-21-12-17(15)24-9-5-6-14(13-24)20(25)23-7-3-4-8-23/h10-12,14H,3-9,13H2,1-2H3
|
|
US20070155803A1_p0029_x1358_y1732_c00073
|
0602.cdx
ChemDraw05240722112D
24 25 0 0 0 0 0 0 0 0999 V2000
-4.6441 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 1 0
2 12 1 1
11 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 11 1 0
12 18 1 0
15 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 19 1 0
M END
|
CC[C@H](N)C(=O)NNC(=O)NCc1ccc(-c2ccccc2)cc1
|
[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
|
InChI=1S/C18H22N4O2/c1-2-16(19)17(23)21-22-18(24)20-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,2,12,19H2,1H3,(H,21,23)(H2,20,22,24)/t16-/m0/s1
|
|
US20050267177A1_p0017_x0336_y1352_c00036
|
0550.cdx
ChemDraw11010513122D
32 35 0 0 0 0 0 0 0 0999 V2000
-3.1164 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4965 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1864 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1864 0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9094 1.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3562 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9094 0.0009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5281 -0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7886 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2567 -0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4965 -0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2557 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6368 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4469 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1053 1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4469 1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7886 1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7636 0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1053 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7384 1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0803 1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0800 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7386 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3970 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0800 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4217 -0.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7384 -0.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3970 0.6159 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1303 0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7384 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12 13 2 0
13 10 1 0
10 11 2 0
11 1 1 0
1 2 2 0
2 12 1 0
1 6 1 0
3 4 2 0
4 5 1 0
5 6 1 0
6 7 2 0
7 3 1 0
3 8 1 0
9 14 1 0
14 21 1 0
21 15 1 0
15 16 1 0
16 17 1 0
17 9 1 0
18 24 2 0
24 25 1 0
25 22 2 0
22 23 1 0
23 19 2 0
19 18 1 0
18 20 1 0
25 26 1 0
24 27 1 0
27 28 2 0
27 29 1 0
13 30 1 0
8 31 1 0
29 32 1 0
31 9 1 1
21 20 1 1
M END
|
COC(=O)c1c(C)cccc1O[C@@H]1CCCC(OCc2coc(-c3ccc(F)cc3)n2)C1
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][C@@H1][C][C][C][C][Branch2][Ring1][#Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][Ring2][Ring1][Ring2]
|
InChI=1S/C25H26FNO5/c1-16-5-3-8-22(23(16)25(28)29-2)32-21-7-4-6-20(13-21)30-14-19-15-31-24(27-19)17-9-11-18(26)12-10-17/h3,5,8-12,15,20-21H,4,6-7,13-14H2,1-2H3/t20?,21-/m1/s1
|
|
US20040266789A1_p0039_x1471_y1095_c00065
|
1180.cdx
ChemDraw11280401262D
15 16 0 0 0 0 0 0 0 0999 V2000
-1.8563 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0313 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0313 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2687 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4437 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4437 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6812 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0938 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
6 7 1 0
3 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
11 14 1 0
14 15 1 0
M END
|
OCc1ccc(-c2ccc(Br)cc2)cc1
|
[O][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]
|
InChI=1S/C13H11BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8,15H,9H2
|
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