N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide

C199H190N32O12S9 — CID 173228285

IUPACN-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)CN(C(=O)c1[nH]c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)cc2c1-c1ccccc1)c1ccc2c(c1)c(-c1ccccc1)c(C(=O)N1CCSCC1)n2C(=O)NCc1cncn1Cc1ccc(C#N)cc1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCCc3cccs3)cc2c1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.CCCCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.N#Cc1ccc(Cn2cncc2CN(C(=O)C2CCCCC2)c2ccc3sc(C(=O)NCc4cccs4)cc3c2)cc1
InChIInChI=1S/C70H66N12O4S.C33H31N5O2S2.C33H33N5O2S2.C32H31N5O2S2.C31H29N5O2S2/c1-47(2)41-80(56-27-29-62-60(35-56)64(53-14-8-4-9-15-53)66(69(85)77-30-32-87-33-31-77)82(62)70(86)75-40-57-38-73-45-78(57)42-50-22-18-48(36-71)19-23-50)68(84)65-63(52-12-6-3-7-13-52)59-34-55(26-28-61(59)76-65)81(67(83)54-16-10-5-11-17-54)44-58-39-74-46-79(58)43-51-24-20-49(37-72)21-25-51;34-17-23-8-10-24(11-9-23)20-37-22-35-18-28(37)21-38(33(40)25-5-2-1-3-6-25)27-12-13-30-26(15-27)16-31(42-30)32(39)36-19-29-7-4-14-41-29;1-2-3-4-5-8-32(39)38(22-28-19-35-23-37(28)21-25-11-9-24(18-34)10-12-25)27-13-14-30-26(16-27)17-31(42-30)33(40)36-20-29-7-6-15-41-29;1-2-3-6-31(38)37(21-27-19-34-22-36(27)20-24-9-7-23(18-33)8-10-24)26-11-12-29-25(16-26)17-30(41-29)32(39)35-14-13-28-5-4-15-40-28;1-2-3-6-30(37)36(20-26-17-33-21-35(26)19-23-9-7-22(16-32)8-10-23)25-11-12-28-24(14-25)15-29(40-28)31(38)34-18-27-5-4-13-39-27/h3-4,6-9,12-15,18-29,34-35,38-39,45-47,54,76H,5,10-11,16-17,30-33,40-44H2,1-2H3,(H,75,86);4,7-16,18,22,25H,1-3,5-6,19-21H2,(H,36,39);6-7,9-17,19,23H,2-5,8,20-22H2,1H3,(H,36,40);4-5,7-12,15-17,19,22H,2-3,6,13-14,20-21H2,1H3,(H,35,39);4-5,7-15,17,21H,2-3,6,18-20H2,1H3,(H,34,38)
InChIKeySYDIDFHNQVIAFY-UHFFFAOYSA-N
MW3510.52 g/mol
LogP41.20
Rot. Bonds62

About N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide

N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 173228285) has the molecular formula C199H190N32O12S9 and a molecular weight of 3510.52 g/mol. Its IUPAC name is N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID173228285
Molecular FormulaC199H190N32O12S9
Molecular Weight3510.52 g/mol
Exact Mass3507.27
IUPAC NameN-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)CN(C(=O)c1[nH]c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)cc2c1-c1ccccc1)c1ccc2c(c1)c(-c1ccccc1)c(C(=O)N1CCSCC1)n2C(=O)NCc1cncn1Cc1ccc(C#N)cc1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCCc3cccs3)cc2c1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.CCCCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.N#Cc1ccc(Cn2cncc2CN(C(=O)C2CCCCC2)c2ccc3sc(C(=O)NCc4cccs4)cc3c2)cc1
InChIInChI=1S/C70H66N12O4S.C33H31N5O2S2.C33H33N5O2S2.C32H31N5O2S2.C31H29N5O2S2/c1-47(2)41-80(56-27-29-62-60(35-56)64(53-14-8-4-9-15-53)66(69(85)77-30-32-87-33-31-77)82(62)70(86)75-40-57-38-73-45-78(57)42-50-22-18-48(36-71)19-23-50)68(84)65-63(52-12-6-3-7-13-52)59-34-55(26-28-61(59)76-65)81(67(83)54-16-10-5-11-17-54)44-58-39-74-46-79(58)43-51-24-20-49(37-72)21-25-51;34-17-23-8-10-24(11-9-23)20-37-22-35-18-28(37)21-38(33(40)25-5-2-1-3-6-25)27-12-13-30-26(15-27)16-31(42-30)32(39)36-19-29-7-4-14-41-29;1-2-3-4-5-8-32(39)38(22-28-19-35-23-37(28)21-25-11-9-24(18-34)10-12-25)27-13-14-30-26(16-27)17-31(42-30)33(40)36-20-29-7-6-15-41-29;1-2-3-6-31(38)37(21-27-19-34-22-36(27)20-24-9-7-23(18-33)8-10-24)26-11-12-29-25(16-26)17-30(41-29)32(39)35-14-13-28-5-4-15-40-28;1-2-3-6-30(37)36(20-26-17-33-21-35(26)19-23-9-7-22(16-32)8-10-23)25-11-12-28-24(14-25)15-29(40-28)31(38)34-18-27-5-4-13-39-27/h3-4,6-9,12-15,18-29,34-35,38-39,45-47,54,76H,5,10-11,16-17,30-33,40-44H2,1-2H3,(H,75,86);4,7-16,18,22,25H,1-3,5-6,19-21H2,(H,36,39);6-7,9-17,19,23H,2-5,8,20-22H2,1H3,(H,36,40);4-5,7-12,15-17,19,22H,2-3,6,13-14,20-21H2,1H3,(H,35,39);4-5,7-15,17,21H,2-3,6,18-20H2,1H3,(H,34,38)
InChIKeySYDIDFHNQVIAFY-UHFFFAOYSA-N
XLogP41.20
TPSA558.05 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds62
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003510.52
LogP ≤ 541.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 173228285) is N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide is CC(C)CN(C(=O)c1[nH]c2ccc(N(Cc3cncn3Cc3ccc(C#N)cc3)C(=O)C3CCCCC3)cc2c1-c1ccccc1)c1ccc2c(c1)c(-c1ccccc1)c(C(=O)N1CCSCC1)n2C(=O)NCc1cncn1Cc1ccc(C#N)cc1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCCc3cccs3)cc2c1.CCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.CCCCCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccs3)cc2c1.N#Cc1ccc(Cn2cncc2CN(C(=O)C2CCCCC2)c2ccc3sc(C(=O)NCc4cccs4)cc3c2)cc1.
What is the InChIKey of N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SYDIDFHNQVIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H66N12O4S.C33H31N5O2S2.C33H33N5O2S2.C32H31N5O2S2.C31H29N5O2S2/c1-47(2)41-80(56-27-29-62-60(35-56)64(53-14-8-4-9-15-53)66(69(85)77-30-32-87-33-31-77)82(62)70(86)75-40-57-38-73-45-78(57)42-50-22-18-48(36-71)19-23-50)68(84)65-63(52-12-6-3-7-13-52)59-34-55(26-28-61(59)76-65)81(67(83)54-16-10-5-11-17-54)44-58-39-74-46-79(58)43-51-24-20-49(37-72)21-25-51;34-17-23-8-10-24(11-9-23)20-37-22-35-18-28(37)21-38(33(40)25-5-2-1-3-6-25)27-12-13-30-26(15-27)16-31(42-30)32(39)36-19-29-7-4-14-41-29;1-2-3-4-5-8-32(39)38(22-28-19-35-23-37(28)21-25-11-9-24(18-34)10-12-25)27-13-14-30-26(16-27)17-31(42-30)33(40)36-20-29-7-6-15-41-29;1-2-3-6-31(38)37(21-27-19-34-22-36(27)20-24-9-7-23(18-33)8-10-24)26-11-12-29-25(16-26)17-30(41-29)32(39)35-14-13-28-5-4-15-40-28;1-2-3-6-30(37)36(20-26-17-33-21-35(26)19-23-9-7-22(16-32)8-10-23)25-11-12-28-24(14-25)15-29(40-28)31(38)34-18-27-5-4-13-39-27/h3-4,6-9,12-15,18-29,34-35,38-39,45-47,54,76H,5,10-11,16-17,30-33,40-44H2,1-2H3,(H,75,86);4,7-16,18,22,25H,1-3,5-6,19-21H2,(H,36,39);6-7,9-17,19,23H,2-5,8,20-22H2,1H3,(H,36,40);4-5,7-12,15-17,19,22H,2-3,6,13-14,20-21H2,1H3,(H,35,39);4-5,7-15,17,21H,2-3,6,18-20H2,1H3,(H,34,38).
What are the key properties of N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 3510.52 g/mol, XLogP of 41.20, 62 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-5-[[5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-3-phenyl-1H-indole-2-carbonyl]-(2-methylpropyl)amino]-3-phenyl-2-(thiomorpholine-4-carbonyl)indole-1-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(cyclohexanecarbonyl)amino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-heptanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide;5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-pentanoylamino]-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 173228285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).