(2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate

C141H139Br4F4N13O21 — CID 159288099

IUPAC(2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1.COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(C)=O)ccc3Br)cc1F)n2C1CCCCC1.O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1
InChIInChI=1S/C44H43BrFN5O7.C34H35BrFN3O5.C33H33BrFN3O5.C30H28BrFN2O4/c45-35-11-6-26(43(55)50-16-14-30(52)15-17-50)18-28(35)24-58-32-9-10-33(36(46)22-32)41-48-38-19-25(7-13-40(38)51(41)29-4-2-1-3-5-29)42(54)49-39(44(56)57)20-27-23-47-37-12-8-31(53)21-34(27)37;1-43-34(42)22-8-12-31-30(18-22)37-32(39(31)24-5-3-2-4-6-24)27-10-9-26(19-29(27)36)44-20-23-17-21(7-11-28(23)35)33(41)38-15-13-25(40)14-16-38;34-27-10-6-20(32(40)37-14-12-24(39)13-15-37)16-22(27)19-43-25-8-9-26(28(35)18-25)31-36-29-17-21(33(41)42)7-11-30(29)38(31)23-4-2-1-3-5-23;1-18(35)19-8-12-25(31)21(14-19)17-38-23-10-11-24(26(32)16-23)29-33-27-15-20(30(36)37-2)9-13-28(27)34(29)22-6-4-3-5-7-22/h6-13,18-19,21-23,29-30,39,47,52-53H,1-5,14-17,20,24H2,(H,49,54)(H,56,57);7-12,17-19,24-25,40H,2-6,13-16,20H2,1H3;6-11,16-18,23-24,39H,1-5,12-15,19H2,(H,41,42);8-16,22H,3-7,17H2,1-2H3/t39-;;;/m0.../s1
InChIKeyKZTMZRNLFLOWJU-CQPJHTMKSA-N
MW2747.34 g/mol
LogP29.63
Rot. Bonds32

About (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate

(2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate (PubChem CID 159288099) has the molecular formula C141H139Br4F4N13O21 and a molecular weight of 2747.34 g/mol. Its IUPAC name is (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name(2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate
PubChem CID159288099
Molecular FormulaC141H139Br4F4N13O21
Molecular Weight2747.34 g/mol
Exact Mass2741.69
IUPAC Name(2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1.COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(C)=O)ccc3Br)cc1F)n2C1CCCCC1.O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1
InChIInChI=1S/C44H43BrFN5O7.C34H35BrFN3O5.C33H33BrFN3O5.C30H28BrFN2O4/c45-35-11-6-26(43(55)50-16-14-30(52)15-17-50)18-28(35)24-58-32-9-10-33(36(46)22-32)41-48-38-19-25(7-13-40(38)51(41)29-4-2-1-3-5-29)42(54)49-39(44(56)57)20-27-23-47-37-12-8-31(53)21-34(27)37;1-43-34(42)22-8-12-31-30(18-22)37-32(39(31)24-5-3-2-4-6-24)27-10-9-26(19-29(27)36)44-20-23-17-21(7-11-28(23)35)33(41)38-15-13-25(40)14-16-38;34-27-10-6-20(32(40)37-14-12-24(39)13-15-37)16-22(27)19-43-25-8-9-26(28(35)18-25)31-36-29-17-21(33(41)42)7-11-30(29)38(31)23-4-2-1-3-5-23;1-18(35)19-8-12-25(31)21(14-19)17-38-23-10-11-24(26(32)16-23)29-33-27-15-20(30(36)37-2)9-13-28(27)34(29)22-6-4-3-5-7-22/h6-13,18-19,21-23,29-30,39,47,52-53H,1-5,14-17,20,24H2,(H,49,54)(H,56,57);7-12,17-19,24-25,40H,2-6,13-16,20H2,1H3;6-11,16-18,23-24,39H,1-5,12-15,19H2,(H,41,42);8-16,22H,3-7,17H2,1-2H3/t39-;;;/m0.../s1
InChIKeyKZTMZRNLFLOWJU-CQPJHTMKSA-N
XLogP29.63
TPSA439.21 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002747.34
LogP ≤ 529.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate with MolForge

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Related Compounds

(2S)-2-[[1-cyclohexyl-2-[2-fluoro-4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]phenyl]benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11239701
2-[[1-cyclohexyl-2-[2-fluoro-4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]phenyl]benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11285741
2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11297444
(2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11445837
(2S)-2-[[1-cyclohexyl-2-[2-fluoro-4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]phenyl]benzimidazole-5-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 59016326
2-[[1-cyclohexyl-2-(2-fluoro-4-phenylmethoxyphenyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11250771
2-[[1-cyclohexyl-2-[2-fluoro-4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]phenyl]benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 69297901
2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 69299351
[(2S)-1-amino-3-(5-hydroxy-1-methylindol-3-yl)-1-oxopropan-2-yl]azanium;N-[(2S)-1-amino-3-(5-hydroxy-1-methylindol-3-yl)-1-oxopropan-2-yl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide;[(2S)-3-(5-hydroxy-1-methylindol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;methyl (2S)-3-(1,5-dimethylindol-3-yl)-2-methylpropanoate;methyl (2S)-2-methyl-3-(5-methyl-1H-indol-3-yl)propanoate
CID 90887866
CID 157140028
CID 157140028
[(2S)-1-amino-3-(5-hydroxy-1-methylindol-3-yl)-1-oxopropan-2-yl]azanium;N-[(2S)-1-amino-3-(5-hydroxy-1-methylindol-3-yl)-1-oxopropan-2-yl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide;[(2S)-3-(5-hydroxy-1-methylindol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;methyl (2S)-3-(1,5-dimethylindol-3-yl)-2-methylpropanoate;methyl (2S)-2-methyl-3-(5-methyl-1H-indol-3-yl)propanoate;dichloride
CID 157729991
N-[(2S)-1-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-1-cyclohexyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide;(2S)-2-[[1-cyclohexyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane
CID 158306879

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate?
The IUPAC name of (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate (CID 159288099) is (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate.
What is the SMILES notation for (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate?
The canonical SMILES for (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1.COC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(C)=O)ccc3Br)cc1F)n2C1CCCCC1.O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1.O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3Br)cc1F)n2C1CCCCC1.
What is the InChIKey of (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate?
The InChIKey is KZTMZRNLFLOWJU-CQPJHTMKSA-N. The full InChI is InChI=1S/C44H43BrFN5O7.C34H35BrFN3O5.C33H33BrFN3O5.C30H28BrFN2O4/c45-35-11-6-26(43(55)50-16-14-30(52)15-17-50)18-28(35)24-58-32-9-10-33(36(46)22-32)41-48-38-19-25(7-13-40(38)51(41)29-4-2-1-3-5-29)42(54)49-39(44(56)57)20-27-23-47-37-12-8-31(53)21-34(27)37;1-43-34(42)22-8-12-31-30(18-22)37-32(39(31)24-5-3-2-4-6-24)27-10-9-26(19-29(27)36)44-20-23-17-21(7-11-28(23)35)33(41)38-15-13-25(40)14-16-38;34-27-10-6-20(32(40)37-14-12-24(39)13-15-37)16-22(27)19-43-25-8-9-26(28(35)18-25)31-36-29-17-21(33(41)42)7-11-30(29)38(31)23-4-2-1-3-5-23;1-18(35)19-8-12-25(31)21(14-19)17-38-23-10-11-24(26(32)16-23)29-33-27-15-20(30(36)37-2)9-13-28(27)34(29)22-6-4-3-5-7-22/h6-13,18-19,21-23,29-30,39,47,52-53H,1-5,14-17,20,24H2,(H,49,54)(H,56,57);7-12,17-19,24-25,40H,2-6,13-16,20H2,1H3;6-11,16-18,23-24,39H,1-5,12-15,19H2,(H,41,42);8-16,22H,3-7,17H2,1-2H3/t39-;;;/m0.../s1.
What are the key properties of (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate?
(2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate has a molecular weight of 2747.34 g/mol, XLogP of 29.63, 32 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;methyl 2-[4-[(5-acetyl-2-bromophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate;methyl 2-[4-[[2-bromo-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate is sourced from PubChem (CID 159288099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).