carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

C380H331N33O42 — CID 158771764

IUPACcarbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
SMILESCCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccc(C(=O)O)cc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccc(C(=O)O)cc2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(C(=O)O)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3cccnc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccncc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.O=C=O
InChIInChI=1S/C33H29N3O5.5C32H28N2O3.3C31H28N4O3.2C31H25N3O5.C31H28N2O.CO2/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41;1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-2-29(22-10-4-3-5-11-22)33-31(35)24-16-17-30-23(20-24)18-19-34(30)21-25-12-6-7-13-26(25)27-14-8-9-15-28(27)32(36)37;1-2-29(22-9-4-3-5-10-22)33-31(35)25-15-16-30-24(20-25)17-18-34(30)21-27-11-6-7-14-28(27)23-12-8-13-26(19-23)32(36)37;1-2-29(24-8-4-3-5-9-24)33-31(35)28-15-16-30-27(20-28)17-18-34(30)21-22-7-6-10-26(19-22)23-11-13-25(14-12-23)32(36)37;1-2-29(23-8-4-3-5-9-23)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-27-10-6-7-11-28(27)22-12-14-24(15-13-22)32(36)37;1-20-22(3)34(19-23-4-6-25(7-5-23)26-14-16-32-17-15-26)30-13-10-27(18-29(20)30)31(36)33-21(2)24-8-11-28(12-9-24)35(37)38;1-20-22(3)34(19-23-6-8-25(9-7-23)27-5-4-16-32-18-27)30-15-12-26(17-29(20)30)31(36)33-21(2)24-10-13-28(14-11-24)35(37)38;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-20(22-9-12-28(13-10-22)34(38)39)32-30(35)26-11-14-29-25(18-26)15-16-33(29)19-21-5-7-23(8-6-21)24-3-2-4-27(17-24)31(36)37;1-20(22-10-13-26(14-11-22)34(38)39)32-30(35)25-12-15-29-24(18-25)16-17-33(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37;1-2-29(25-13-7-4-8-14-25)32-31(34)28-16-17-30-27(21-28)18-19-33(30)22-23-10-9-15-26(20-23)24-11-5-3-6-12-24;2-1-3/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39);5*3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);3*4-18,21H,19H2,1-3H3,(H,33,36);2*2-18,20H,19H2,1H3,(H,32,35)(H,36,37);3-21,29H,2,22H2,1H3,(H,32,34);/t21-;;;;;;3*21-;2*20-;;/m1.....00000../s1
InChIKeyIPYNFZRHWOGSLA-VPTOBDPGSA-N
MW6032.02 g/mol
LogP81.62
Rot. Bonds92

About carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 158771764) has the molecular formula C380H331N33O42 and a molecular weight of 6032.02 g/mol. Its IUPAC name is carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Namecarbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
PubChem CID158771764
Molecular FormulaC380H331N33O42
Molecular Weight6032.02 g/mol
Exact Mass6027.48
IUPAC Namecarbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
SMILESCCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccc(C(=O)O)cc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccc(C(=O)O)cc2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(C(=O)O)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3cccnc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccncc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.O=C=O
InChIInChI=1S/C33H29N3O5.5C32H28N2O3.3C31H28N4O3.2C31H25N3O5.C31H28N2O.CO2/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41;1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-2-29(22-10-4-3-5-11-22)33-31(35)24-16-17-30-23(20-24)18-19-34(30)21-25-12-6-7-13-26(25)27-14-8-9-15-28(27)32(36)37;1-2-29(22-9-4-3-5-10-22)33-31(35)25-15-16-30-24(20-25)17-18-34(30)21-27-11-6-7-14-28(27)23-12-8-13-26(19-23)32(36)37;1-2-29(24-8-4-3-5-9-24)33-31(35)28-15-16-30-27(20-28)17-18-34(30)21-22-7-6-10-26(19-22)23-11-13-25(14-12-23)32(36)37;1-2-29(23-8-4-3-5-9-23)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-27-10-6-7-11-28(27)22-12-14-24(15-13-22)32(36)37;1-20-22(3)34(19-23-4-6-25(7-5-23)26-14-16-32-17-15-26)30-13-10-27(18-29(20)30)31(36)33-21(2)24-8-11-28(12-9-24)35(37)38;1-20-22(3)34(19-23-6-8-25(9-7-23)27-5-4-16-32-18-27)30-15-12-26(17-29(20)30)31(36)33-21(2)24-10-13-28(14-11-24)35(37)38;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-20(22-9-12-28(13-10-22)34(38)39)32-30(35)26-11-14-29-25(18-26)15-16-33(29)19-21-5-7-23(8-6-21)24-3-2-4-27(17-24)31(36)37;1-20(22-10-13-26(14-11-22)34(38)39)32-30(35)25-12-15-29-24(18-25)16-17-33(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37;1-2-29(25-13-7-4-8-14-25)32-31(34)28-16-17-30-27(21-28)18-19-33(30)22-23-10-9-15-26(20-23)24-11-5-3-6-12-24;2-1-3/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39);5*3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);3*4-18,21H,19H2,1-3H3,(H,33,36);2*2-18,20H,19H2,1H3,(H,32,35)(H,36,37);3-21,29H,2,22H2,1H3,(H,32,34);/t21-;;;;;;3*21-;2*20-;;/m1.....00000../s1
InChIKeyIPYNFZRHWOGSLA-VPTOBDPGSA-N
XLogP81.62
TPSA1038.41 Ų
H-Bond Donors20
H-Bond Acceptors49
Rotatable Bonds92
Heavy Atoms455
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006032.02
LogP ≤ 581.62
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1049

Analyze carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 53239854
CID 53239854
CID 46846227
CID 46846227
CID 50919249
CID 50919249
CID 52921708
CID 52921708
CID 50919229
CID 50919229
CID 50919235
CID 50919235
CID 155515705
CID 155515705
CID 166628975
CID 166628975
CID 157792691
CID 157792691
CID 157924951
CID 157924951
CID 158162396
CID 158162396
CID 158468212
CID 158468212

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
The IUPAC name of carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid (CID 158771764) is carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccc(C(=O)O)cc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2cccc(-c3ccccc3C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccc(C(=O)O)cc2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2cccc(C(=O)O)c2)c1)c1ccccc1.CCC(NC(=O)c1ccc2c(ccn2Cc2ccccc2-c2ccccc2C(=O)O)c1)c1ccccc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(C(=O)O)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)O)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccn3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3cccnc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccncc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12.O=C=O.
What is the InChIKey of carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
The InChIKey is IPYNFZRHWOGSLA-VPTOBDPGSA-N. The full InChI is InChI=1S/C33H29N3O5.5C32H28N2O3.3C31H28N4O3.2C31H25N3O5.C31H28N2O.CO2/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41;1-2-29(23-10-4-3-5-11-23)33-31(35)26-15-16-30-25(20-26)17-18-34(30)21-22-9-8-12-24(19-22)27-13-6-7-14-28(27)32(36)37;1-2-29(22-10-4-3-5-11-22)33-31(35)24-16-17-30-23(20-24)18-19-34(30)21-25-12-6-7-13-26(25)27-14-8-9-15-28(27)32(36)37;1-2-29(22-9-4-3-5-10-22)33-31(35)25-15-16-30-24(20-25)17-18-34(30)21-27-11-6-7-14-28(27)23-12-8-13-26(19-23)32(36)37;1-2-29(24-8-4-3-5-9-24)33-31(35)28-15-16-30-27(20-28)17-18-34(30)21-22-7-6-10-26(19-22)23-11-13-25(14-12-23)32(36)37;1-2-29(23-8-4-3-5-9-23)33-31(35)26-16-17-30-25(20-26)18-19-34(30)21-27-10-6-7-11-28(27)22-12-14-24(15-13-22)32(36)37;1-20-22(3)34(19-23-4-6-25(7-5-23)26-14-16-32-17-15-26)30-13-10-27(18-29(20)30)31(36)33-21(2)24-8-11-28(12-9-24)35(37)38;1-20-22(3)34(19-23-6-8-25(9-7-23)27-5-4-16-32-18-27)30-15-12-26(17-29(20)30)31(36)33-21(2)24-10-13-28(14-11-24)35(37)38;1-20-22(3)34(19-23-7-9-25(10-8-23)29-6-4-5-17-32-29)30-16-13-26(18-28(20)30)31(36)33-21(2)24-11-14-27(15-12-24)35(37)38;1-20(22-9-12-28(13-10-22)34(38)39)32-30(35)26-11-14-29-25(18-26)15-16-33(29)19-21-5-7-23(8-6-21)24-3-2-4-27(17-24)31(36)37;1-20(22-10-13-26(14-11-22)34(38)39)32-30(35)25-12-15-29-24(18-25)16-17-33(29)19-21-6-8-23(9-7-21)27-4-2-3-5-28(27)31(36)37;1-2-29(25-13-7-4-8-14-25)32-31(34)28-16-17-30-27(21-28)18-19-33(30)22-23-10-9-15-26(20-23)24-11-5-3-6-12-24;2-1-3/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39);5*3-20,29H,2,21H2,1H3,(H,33,35)(H,36,37);3*4-18,21H,19H2,1-3H3,(H,33,36);2*2-18,20H,19H2,1H3,(H,32,35)(H,36,37);3-21,29H,2,22H2,1H3,(H,32,34);/t21-;;;;;;3*21-;2*20-;;/m1.....00000../s1.
What are the key properties of carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid?
carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 6032.02 g/mol, XLogP of 81.62, 92 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-3-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-pyridin-4-ylphenyl)methyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[4-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;1-[(3-phenylphenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide;2-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;4-[3-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 158771764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).