2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide

C253H242Cl3F6N17O20 — CID 158821018

IUPAC2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccc(-c3ccccc3C(=O)N3CC[C@H](O)C3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NC3CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(F)c(F)cc3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C40H43N3O3.C39H41N3O2.C38H41N3O3.C36H34N2O3.C34H28ClF3N2O3.C33H28Cl2N2O3.C33H27F3N2O3/c1-25(2)31-9-8-10-32(21-31)27(4)41-39(45)33-17-18-38-37(22-33)26(3)28(5)43(38)23-29-13-15-30(16-14-29)35-11-6-7-12-36(35)40(46)42-20-19-34(44)24-42;1-24(2)30-9-8-10-31(21-30)26(4)40-38(43)32-17-20-37-36(22-32)25(3)27(5)42(37)23-28-13-15-29(16-14-28)34-11-6-7-12-35(34)39(44)41-33-18-19-33;1-24(2)30-9-8-10-31(21-30)26(4)40-37(43)32-17-18-36-35(22-32)25(3)27(5)41(36)23-28-13-15-29(16-14-28)33-11-6-7-12-34(33)38(44)39-19-20-42;1-22-24(3)38(21-25-8-10-29(11-9-25)31-6-4-5-7-32(31)36(40)41)34-19-18-30(20-33(22)34)35(39)37-23(2)26-12-14-27(15-13-26)28-16-17-28;1-19-21(3)40(18-22-8-10-23(11-9-22)26-6-4-5-7-27(26)33(42)43)31-15-12-24(16-28(19)31)32(41)39-20(2)29-17-25(34(36,37)38)13-14-30(29)35;1-19-21(3)37(18-22-8-10-23(11-9-22)27-6-4-5-7-28(27)33(39)40)31-15-12-24(16-29(19)31)32(38)36-20(2)26-14-13-25(34)17-30(26)35;1-18-20(3)38(17-21-8-10-22(11-9-21)24-6-4-5-7-25(24)33(40)41)31-13-12-23(14-26(18)31)32(39)37-19(2)27-15-29(35)30(36)16-28(27)34/h6-18,21-22,25,27,34,44H,19-20,23-24H2,1-5H3,(H,41,45);6-17,20-22,24,26,33H,18-19,23H2,1-5H3,(H,40,43)(H,41,44);6-18,21-22,24,26,42H,19-20,23H2,1-5H3,(H,39,44)(H,40,43);4-15,18-20,23,28H,16-17,21H2,1-3H3,(H,37,39)(H,40,41);4-17,20H,18H2,1-3H3,(H,39,41)(H,42,43);4-17,20H,18H2,1-3H3,(H,36,38)(H,39,40);4-16,19H,17H2,1-3H3,(H,37,39)(H,40,41)/t27-,34-;2*26-;23-;2*20-;19-/m0000000/s1
InChIKeyIVWJGWPFDBJGFH-KFZGHHJRSA-N
MW4061.16 g/mol
LogP56.51
Rot. Bonds56

About 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide

2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide (PubChem CID 158821018) has the molecular formula C253H242Cl3F6N17O20 and a molecular weight of 4061.16 g/mol. Its IUPAC name is 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
PubChem CID158821018
Molecular FormulaC253H242Cl3F6N17O20
Molecular Weight4061.16 g/mol
Exact Mass4056.74
IUPAC Name2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccc(-c3ccccc3C(=O)N3CC[C@H](O)C3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NC3CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(F)c(F)cc3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C40H43N3O3.C39H41N3O2.C38H41N3O3.C36H34N2O3.C34H28ClF3N2O3.C33H28Cl2N2O3.C33H27F3N2O3/c1-25(2)31-9-8-10-32(21-31)27(4)41-39(45)33-17-18-38-37(22-33)26(3)28(5)43(38)23-29-13-15-30(16-14-29)35-11-6-7-12-36(35)40(46)42-20-19-34(44)24-42;1-24(2)30-9-8-10-31(21-30)26(4)40-38(43)32-17-20-37-36(22-32)25(3)27(5)42(37)23-28-13-15-29(16-14-28)34-11-6-7-12-35(34)39(44)41-33-18-19-33;1-24(2)30-9-8-10-31(21-30)26(4)40-37(43)32-17-18-36-35(22-32)25(3)27(5)41(36)23-28-13-15-29(16-14-28)33-11-6-7-12-34(33)38(44)39-19-20-42;1-22-24(3)38(21-25-8-10-29(11-9-25)31-6-4-5-7-32(31)36(40)41)34-19-18-30(20-33(22)34)35(39)37-23(2)26-12-14-27(15-13-26)28-16-17-28;1-19-21(3)40(18-22-8-10-23(11-9-22)26-6-4-5-7-27(26)33(42)43)31-15-12-24(16-28(19)31)32(41)39-20(2)29-17-25(34(36,37)38)13-14-30(29)35;1-19-21(3)37(18-22-8-10-23(11-9-22)27-6-4-5-7-28(27)33(39)40)31-15-12-24(16-29(19)31)32(38)36-20(2)26-14-13-25(34)17-30(26)35;1-18-20(3)38(17-21-8-10-22(11-9-21)24-6-4-5-7-25(24)33(40)41)31-13-12-23(14-26(18)31)32(39)37-19(2)27-15-29(35)30(36)16-28(27)34/h6-18,21-22,25,27,34,44H,19-20,23-24H2,1-5H3,(H,41,45);6-17,20-22,24,26,33H,18-19,23H2,1-5H3,(H,40,43)(H,41,44);6-18,21-22,24,26,42H,19-20,23H2,1-5H3,(H,39,44)(H,40,43);4-15,18-20,23,28H,16-17,21H2,1-3H3,(H,37,39)(H,40,41);4-17,20H,18H2,1-3H3,(H,39,41)(H,42,43);4-17,20H,18H2,1-3H3,(H,36,38)(H,39,40);4-16,19H,17H2,1-3H3,(H,37,39)(H,40,41)/t27-,34-;2*26-;23-;2*20-;19-/m0000000/s1
InChIKeyIVWJGWPFDBJGFH-KFZGHHJRSA-N
XLogP56.51
TPSA506.38 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds56
Heavy Atoms299
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004061.16
LogP ≤ 556.51
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Analyze 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?
The IUPAC name of 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide (CID 158821018) is 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide.
What is the SMILES notation for 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?
The canonical SMILES for 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)N3CC[C@H](O)C3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NC3CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)NCCO)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(F)c(F)cc3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?
The InChIKey is IVWJGWPFDBJGFH-KFZGHHJRSA-N. The full InChI is InChI=1S/C40H43N3O3.C39H41N3O2.C38H41N3O3.C36H34N2O3.C34H28ClF3N2O3.C33H28Cl2N2O3.C33H27F3N2O3/c1-25(2)31-9-8-10-32(21-31)27(4)41-39(45)33-17-18-38-37(22-33)26(3)28(5)43(38)23-29-13-15-30(16-14-29)35-11-6-7-12-36(35)40(46)42-20-19-34(44)24-42;1-24(2)30-9-8-10-31(21-30)26(4)40-38(43)32-17-20-37-36(22-32)25(3)27(5)42(37)23-28-13-15-29(16-14-28)34-11-6-7-12-35(34)39(44)41-33-18-19-33;1-24(2)30-9-8-10-31(21-30)26(4)40-37(43)32-17-18-36-35(22-32)25(3)27(5)41(36)23-28-13-15-29(16-14-28)33-11-6-7-12-34(33)38(44)39-19-20-42;1-22-24(3)38(21-25-8-10-29(11-9-25)31-6-4-5-7-32(31)36(40)41)34-19-18-30(20-33(22)34)35(39)37-23(2)26-12-14-27(15-13-26)28-16-17-28;1-19-21(3)40(18-22-8-10-23(11-9-22)26-6-4-5-7-27(26)33(42)43)31-15-12-24(16-28(19)31)32(41)39-20(2)29-17-25(34(36,37)38)13-14-30(29)35;1-19-21(3)37(18-22-8-10-23(11-9-22)27-6-4-5-7-28(27)33(39)40)31-15-12-24(16-29(19)31)32(38)36-20(2)26-14-13-25(34)17-30(26)35;1-18-20(3)38(17-21-8-10-22(11-9-21)24-6-4-5-7-25(24)33(40)41)31-13-12-23(14-26(18)31)32(39)37-19(2)27-15-29(35)30(36)16-28(27)34/h6-18,21-22,25,27,34,44H,19-20,23-24H2,1-5H3,(H,41,45);6-17,20-22,24,26,33H,18-19,23H2,1-5H3,(H,40,43)(H,41,44);6-18,21-22,24,26,42H,19-20,23H2,1-5H3,(H,39,44)(H,40,43);4-15,18-20,23,28H,16-17,21H2,1-3H3,(H,37,39)(H,40,41);4-17,20H,18H2,1-3H3,(H,39,41)(H,42,43);4-17,20H,18H2,1-3H3,(H,36,38)(H,39,40);4-16,19H,17H2,1-3H3,(H,37,39)(H,40,41)/t27-,34-;2*26-;23-;2*20-;19-/m0000000/s1.
What are the key properties of 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide?
2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide has a molecular weight of 4061.16 g/mol, XLogP of 56.51, 56 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;1-[[4-[2-(cyclopropylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(4-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-2,3-dimethylindol-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;1-[[4-[2-(2-hydroxyethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;1-[[4-[2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 158821018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).