CID 160265155

C406H371Br3F3N25O38 — CID 160265155

IUPAC2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(3-tert-butylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
SMILESCCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=C3C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4C5=CC=C(C=C5)C(=O)O.CC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)N[C@@H](C)C5=CC=C(C=C5)Br.CC1=CN(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CC1=CN(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC(=CC=C3)C(C)(C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=CC(=C3)C(C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C3CC3)C4=CC=CC(=C4)C(C)C)CC5=CC=C(C=C5)C6=CC=CC=C6)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@H](C3=CC=CC(=C3)C(C)C)C(F)(F)F)CC4=CC=C(C=C4)C5=CC=CC=C5)C.C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.C(=O)=O.C(=O)=O.C(=O)=O.C(=O)=O
InChIInChI=1S/C37H38N2O.C36H38N2O.C35H33F3N2O.C35H36N2O.C34H32N2O3.2C33H30N2O3.2C32H27BrN2O3.C32H27N3O5.C32H28N2O3.C31H25BrN2O3.4CO2/c1-24(2)31-11-8-12-32(21-31)36(30-17-18-30)38-37(40)33-19-20-35-34(22-33)25(3)26(4)39(35)23-27-13-15-29(16-14-27)28-9-6-5-7-10-28;1-24-26(3)38(23-27-15-17-29(18-16-27)28-11-8-7-9-12-28)34-20-19-31(22-33(24)34)35(39)37-25(2)30-13-10-14-32(21-30)36(4,5)6;1-22(2)28-11-8-12-29(19-28)33(35(36,37)38)39-34(41)30-17-18-32-31(20-30)23(3)24(4)40(32)21-25-13-15-27(16-14-25)26-9-6-5-7-10-26;1-23(2)30-12-9-13-31(20-30)25(4)36-35(38)32-18-19-34-33(21-32)24(3)26(5)37(34)22-27-14-16-29(17-15-27)28-10-7-6-8-11-28;1-4-31(25-10-6-5-7-11-25)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-28-12-8-9-13-29(28)24-14-16-26(17-15-24)34(38)39;1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-29(19-26)22(2)20-35(31)21-23-13-15-24(16-14-23)27-11-7-8-12-28(27)33(37)38;1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38;1-20-18-35(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)34-21(2)23-11-14-26(33)15-12-23;1-20-17-26-18-25(31(36)34-21(2)23-11-14-27(33)15-12-23)13-16-30(26)35(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;1-20-18-34(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)33-21(2)23-11-14-26(15-12-23)35(39)40;1-2-29(24-8-4-3-5-9-24)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-22-12-14-23(15-13-22)27-10-6-7-11-28(27)32(36)37;1-20(22-10-13-26(32)14-11-22)33-30(35)25-12-15-29-24(18-25)16-17-34(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37;4*2-1-3/h5-16,19-22,24,30,36H,17-18,23H2,1-4H3,(H,38,40);7-22,25H,23H2,1-6H3,(H,37,39);5-20,22,33H,21H2,1-4H3,(H,39,41);6-21,23,25H,22H2,1-5H3,(H,36,38);5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39);2*4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38);2*3-18,21H,19H2,1-2H3,(H,34,36)(H,37,38);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);2-18,20H,19H2,1H3,(H,33,35)(H,36,37);;;;/t36-;25-;33-;25-;;;;3*21-;;20-;;;;/m0010...000.0..../s1
InChIKeyPOPRIWDFSZRYQK-ZSCIPZEZSA-N
MW6505.00 g/mol
LogP—
Rot. Bonds89

About CID 160265155

CID 160265155 (PubChem CID 160265155) has the molecular formula C406H371Br3F3N25O38 and a molecular weight of 6505.00 g/mol. Its IUPAC name is 2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(3-tert-butylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound NameCID 160265155
PubChem CID160265155
Molecular FormulaC406H371Br3F3N25O38
Molecular Weight6505.00 g/mol
Exact Mass6503.55
IUPAC Name2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(3-tert-butylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
SMILESCCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=C3C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4C5=CC=C(C=C5)C(=O)O.CC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)N[C@@H](C)C5=CC=C(C=C5)Br.CC1=CN(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CC1=CN(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC(=CC=C3)C(C)(C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=CC(=C3)C(C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C3CC3)C4=CC=CC(=C4)C(C)C)CC5=CC=C(C=C5)C6=CC=CC=C6)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@H](C3=CC=CC(=C3)C(C)C)C(F)(F)F)CC4=CC=C(C=C4)C5=CC=CC=C5)C.C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.C(=O)=O.C(=O)=O.C(=O)=O.C(=O)=O
InChIInChI=1S/C37H38N2O.C36H38N2O.C35H33F3N2O.C35H36N2O.C34H32N2O3.2C33H30N2O3.2C32H27BrN2O3.C32H27N3O5.C32H28N2O3.C31H25BrN2O3.4CO2/c1-24(2)31-11-8-12-32(21-31)36(30-17-18-30)38-37(40)33-19-20-35-34(22-33)25(3)26(4)39(35)23-27-13-15-29(16-14-27)28-9-6-5-7-10-28;1-24-26(3)38(23-27-15-17-29(18-16-27)28-11-8-7-9-12-28)34-20-19-31(22-33(24)34)35(39)37-25(2)30-13-10-14-32(21-30)36(4,5)6;1-22(2)28-11-8-12-29(19-28)33(35(36,37)38)39-34(41)30-17-18-32-31(20-30)23(3)24(4)40(32)21-25-13-15-27(16-14-25)26-9-6-5-7-10-26;1-23(2)30-12-9-13-31(20-30)25(4)36-35(38)32-18-19-34-33(21-32)24(3)26(5)37(34)22-27-14-16-29(17-15-27)28-10-7-6-8-11-28;1-4-31(25-10-6-5-7-11-25)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-28-12-8-9-13-29(28)24-14-16-26(17-15-24)34(38)39;1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-29(19-26)22(2)20-35(31)21-23-13-15-24(16-14-23)27-11-7-8-12-28(27)33(37)38;1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38;1-20-18-35(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)34-21(2)23-11-14-26(33)15-12-23;1-20-17-26-18-25(31(36)34-21(2)23-11-14-27(33)15-12-23)13-16-30(26)35(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;1-20-18-34(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)33-21(2)23-11-14-26(15-12-23)35(39)40;1-2-29(24-8-4-3-5-9-24)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-22-12-14-23(15-13-22)27-10-6-7-11-28(27)32(36)37;1-20(22-10-13-26(32)14-11-22)33-30(35)25-12-15-29-24(18-25)16-17-34(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37;4*2-1-3/h5-16,19-22,24,30,36H,17-18,23H2,1-4H3,(H,38,40);7-22,25H,23H2,1-6H3,(H,37,39);5-20,22,33H,21H2,1-4H3,(H,39,41);6-21,23,25H,22H2,1-5H3,(H,36,38);5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39);2*4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38);2*3-18,21H,19H2,1-2H3,(H,34,36)(H,37,38);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);2-18,20H,19H2,1H3,(H,33,35)(H,36,37);;;;/t36-;25-;33-;25-;;;;3*21-;;20-;;;;/m0010...000.0..../s1
InChIKeyPOPRIWDFSZRYQK-ZSCIPZEZSA-N
XLogP—
TPSA889.00 Ų
H-Bond Donors20
H-Bond Acceptors41
Rotatable Bonds89
Heavy Atoms475
Complexity9660

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006505.00
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1041

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Related Compounds

2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(3-tert-butylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 158284498
2-[4-[[2,3-dimethyl-5-[[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(5-fluoro-2-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158777895
2-[4-[[5-[[(1S)-1-cyclohexylethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 159992041
2-[4-[[2,3-dimethyl-5-[[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1R)-1-(5-fluoro-2-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(5-fluoro-2-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 160885663
2-[4-[[5-[[(1R)-1-(3-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2,4,5-trifluorophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-fluoro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 161092514
2-[4-[[2,3-dimethyl-5-[[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1R)-1-(5-fluoro-2-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(5-fluoro-2-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 161487964
2-[4-[[5-[[(1R)-1-(3-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(3-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-fluoro-3-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-fluoro-4-methylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 162205248
1-[(4-carbamoylphenyl)methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N-methyl-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 162265664
CID 157064562
CID 157064562
2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 157126623
bis(4-[2-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid);2-[4-[[5-[(2-bromophenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(2-nitrophenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 157151138
2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 157395490

Frequently Asked Questions

What is the IUPAC name of CID 160265155?
The IUPAC name of CID 160265155 (CID 160265155) is 2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;N-[(1S)-1-(3-tert-butylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;tetrakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for CID 160265155?
The canonical SMILES for CID 160265155 is CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=C3C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4C5=CC=C(C=C5)C(=O)O.CC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)N[C@@H](C)C5=CC=C(C=C5)Br.CC1=CN(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CC1=CN(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC(=CC=C3)C(C)(C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=CC(=C3)C(C)C)CC4=CC=C(C=C4)C5=CC=CC=C5)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C3CC3)C4=CC=CC(=C4)C(C)C)CC5=CC=C(C=C5)C6=CC=CC=C6)C.CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@H](C3=CC=CC(=C3)C(C)C)C(F)(F)F)CC4=CC=C(C=C4)C5=CC=CC=C5)C.C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O.C(=O)=O.C(=O)=O.C(=O)=O.C(=O)=O.
What is the InChIKey of CID 160265155?
The InChIKey is POPRIWDFSZRYQK-ZSCIPZEZSA-N. The full InChI is InChI=1S/C37H38N2O.C36H38N2O.C35H33F3N2O.C35H36N2O.C34H32N2O3.2C33H30N2O3.2C32H27BrN2O3.C32H27N3O5.C32H28N2O3.C31H25BrN2O3.4CO2/c1-24(2)31-11-8-12-32(21-31)36(30-17-18-30)38-37(40)33-19-20-35-34(22-33)25(3)26(4)39(35)23-27-13-15-29(16-14-27)28-9-6-5-7-10-28;1-24-26(3)38(23-27-15-17-29(18-16-27)28-11-8-7-9-12-28)34-20-19-31(22-33(24)34)35(39)37-25(2)30-13-10-14-32(21-30)36(4,5)6;1-22(2)28-11-8-12-29(19-28)33(35(36,37)38)39-34(41)30-17-18-32-31(20-30)23(3)24(4)40(32)21-25-13-15-27(16-14-25)26-9-6-5-7-10-26;1-23(2)30-12-9-13-31(20-30)25(4)36-35(38)32-18-19-34-33(21-32)24(3)26(5)37(34)22-27-14-16-29(17-15-27)28-10-7-6-8-11-28;1-4-31(25-10-6-5-7-11-25)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-28-12-8-9-13-29(28)24-14-16-26(17-15-24)34(38)39;1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-29(19-26)22(2)20-35(31)21-23-13-15-24(16-14-23)27-11-7-8-12-28(27)33(37)38;1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38;1-20-18-35(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)34-21(2)23-11-14-26(33)15-12-23;1-20-17-26-18-25(31(36)34-21(2)23-11-14-27(33)15-12-23)13-16-30(26)35(20)19-22-7-9-24(10-8-22)28-5-3-4-6-29(28)32(37)38;1-20-18-34(19-22-7-9-24(10-8-22)27-5-3-4-6-28(27)32(37)38)30-16-13-25(17-29(20)30)31(36)33-21(2)23-11-14-26(15-12-23)35(39)40;1-2-29(24-8-4-3-5-9-24)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-22-12-14-23(15-13-22)27-10-6-7-11-28(27)32(36)37;1-20(22-10-13-26(32)14-11-22)33-30(35)25-12-15-29-24(18-25)16-17-34(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37;4*2-1-3/h5-16,19-22,24,30,36H,17-18,23H2,1-4H3,(H,38,40);7-22,25H,23H2,1-6H3,(H,37,39);5-20,22,33H,21H2,1-4H3,(H,39,41);6-21,23,25H,22H2,1-5H3,(H,36,38);5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39);2*4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38);2*3-18,21H,19H2,1-2H3,(H,34,36)(H,37,38);3-18,21H,19H2,1-2H3,(H,33,36)(H,37,38);3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);2-18,20H,19H2,1H3,(H,33,35)(H,36,37);;;;/t36-;25-;33-;25-;;;;3*21-;;20-;;;;/m0010...000.0..../s1.
What are the key properties of CID 160265155?
CID 160265155 has a molecular weight of 6505.00 g/mol, XLogP of not available, 89 rotatable bonds, 20 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160265155 is sourced from PubChem (CID 160265155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).