1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid

C111H129Cl2F4N12O15PS6 — CID 159356692

IUPAC1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(F)cc(-c5c(S(C)(=O)=O)c(C)n(C(C)C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)ccc1N[C@H](CCN1CCC(C(=O)OCCP(=O)(O)O)CC1)CSc1ccccc1F.Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(F)cc(-c5c(S(C)(=O)=O)c(C)n(C(C)C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)ccc1N[C@H](CCN1CCC(C)(C(=O)O)CC1)CSc1ccccc1F
InChIInChI=1S/C56H66ClF2N6O9PS3.C55H63ClF2N6O6S3/c1-37(2)65-39(4)55(77(5,70)71)53(54(65)40-10-12-43(57)13-11-40)42-33-44(58)35-48(34-42)64-28-26-63(27-29-64)47-16-14-45(15-17-47)61-78(72,73)49-18-19-51(38(3)32-49)60-46(36-76-52-9-7-6-8-50(52)59)22-25-62-23-20-41(21-24-62)56(66)74-30-31-75(67,68)69;1-36(2)64-38(4)53(72(6,67)68)51(52(64)39-11-13-41(56)14-12-39)40-32-42(57)34-46(33-40)63-29-27-62(28-30-63)45-17-15-43(16-18-45)60-73(69,70)47-19-20-49(37(3)31-47)59-44(35-71-50-10-8-7-9-48(50)58)21-24-61-25-22-55(5,23-26-61)54(65)66/h6-19,32-35,37,41,46,60-61H,20-31,36H2,1-5H3,(H2,67,68,69);7-20,31-34,36,44,59-60H,21-30,35H2,1-6H3,(H,65,66)/t46-;44-/m11/s1
InChIKeyLHZYVTMNBJIAOO-ORCLBYIASA-N
MW2241.60 g/mol
LogP22.51
Rot. Bonds39

About 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid

1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid (PubChem CID 159356692) has the molecular formula C111H129Cl2F4N12O15PS6 and a molecular weight of 2241.60 g/mol. Its IUPAC name is 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid.

Molecular Properties

Compound Name1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid
PubChem CID159356692
Molecular FormulaC111H129Cl2F4N12O15PS6
Molecular Weight2241.60 g/mol
Exact Mass2238.71
IUPAC Name1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(F)cc(-c5c(S(C)(=O)=O)c(C)n(C(C)C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)ccc1N[C@H](CCN1CCC(C(=O)OCCP(=O)(O)O)CC1)CSc1ccccc1F.Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(F)cc(-c5c(S(C)(=O)=O)c(C)n(C(C)C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)ccc1N[C@H](CCN1CCC(C)(C(=O)O)CC1)CSc1ccccc1F
InChIInChI=1S/C56H66ClF2N6O9PS3.C55H63ClF2N6O6S3/c1-37(2)65-39(4)55(77(5,70)71)53(54(65)40-10-12-43(57)13-11-40)42-33-44(58)35-48(34-42)64-28-26-63(27-29-64)47-16-14-45(15-17-47)61-78(72,73)49-18-19-51(38(3)32-49)60-46(36-76-52-9-7-6-8-50(52)59)22-25-62-23-20-41(21-24-62)56(66)74-30-31-75(67,68)69;1-36(2)64-38(4)53(72(6,67)68)51(52(64)39-11-13-41(56)14-12-39)40-32-42(57)34-46(33-40)63-29-27-62(28-30-63)45-17-15-43(16-18-45)60-73(69,70)47-19-20-49(37(3)31-47)59-44(35-71-50-10-8-7-9-48(50)58)21-24-61-25-22-55(5,23-26-61)54(65)66/h6-19,32-35,37,41,46,60-61H,20-31,36H2,1-5H3,(H2,67,68,69);7-20,31-34,36,44,59-60H,21-30,35H2,1-6H3,(H,65,66)/t46-;44-/m11/s1
InChIKeyLHZYVTMNBJIAOO-ORCLBYIASA-N
XLogP22.51
TPSA335.11 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002241.60
LogP ≤ 522.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid with MolForge

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Related Compounds

2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-phenylsulfanylbutyl]-4-methylpiperidine-4-carbonyl]oxyethylphosphonic acid;1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-phenylsulfanylbutyl]-4-methylpiperidine-4-carboxylic acid
CID 158936670
2-[1-[3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid
CID 90279771
3-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acid;[2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-phenylsulfanylbutyl]piperidin-4-yl]oxy-2-oxoethyl]phosphonic acid
CID 167618425
2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acid
CID 118534546
2-[1-[(3R)-3-[4-[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-(methylamino)-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]anilino]sulfanyl-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid
CID 154987754
5-(4-chlorophenyl)-4-[3-fluoro-5-[4-[4-[[4-[[(2R)-1-phenylsulfanyl-4-[4-(phosphonooxymethyl)piperidin-1-yl]butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
CID 153296880
[1-[(3R)-3-amino-4-phenylsulfanylbutyl]piperidin-4-yl] ditert-butyl phosphate;[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-phenylsulfanylbutyl]piperidin-4-yl] dihydrogen phosphate;ditert-butyl piperidin-4-yl phosphate;1,2-dichloroethane;methane;N-[(2-methylpropan-2-yl)oxy-propan-2-yloxyphosphanyl]-N-propan-2-ylpropan-2-amine;piperidin-4-ol;hydrofluoride
CID 161231753
5-(4-chlorophenyl)-4-[3-fluoro-5-[4-[4-[[4-[[(2R)-4-(4-hydroxypiperidin-1-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
CID 130443507
5-(4-chlorophenyl)-2-methyl-4-[3-[4-[4-[[3-methylsulfonyl-4-[[1-phenylsulfanyl-4-(4-phosphonooxypiperidin-1-yl)butan-2-yl]amino]phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-1-propan-2-ylpyrrole-3-carboxylic acid
CID 175094492
5-(4-chlorophenyl)-4-[3-[4-[4-[[4-[[(2R)-4-[4-[[hydroxy(methyl)phosphoryl]oxymethyl]piperidin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
CID 157406277
N-[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]-4-[[(2R)-4-[methyl(prop-2-enyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 147233358
5-(4-chlorophenyl)-4-[3-fluoro-5-[4-[4-[[4-[[(2R)-4-hydroxy-1-phenylsulfanylbutan-2-yl]amino]-3-methylsulfonylphenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
CID 137490892

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid?
The IUPAC name of 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid (CID 159356692) is 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid.
What is the SMILES notation for 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid?
The canonical SMILES for 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid is Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(F)cc(-c5c(S(C)(=O)=O)c(C)n(C(C)C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)ccc1N[C@H](CCN1CCC(C(=O)OCCP(=O)(O)O)CC1)CSc1ccccc1F.Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(F)cc(-c5c(S(C)(=O)=O)c(C)n(C(C)C)c5-c5ccc(Cl)cc5)c4)CC3)cc2)ccc1N[C@H](CCN1CCC(C)(C(=O)O)CC1)CSc1ccccc1F.
What is the InChIKey of 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid?
The InChIKey is LHZYVTMNBJIAOO-ORCLBYIASA-N. The full InChI is InChI=1S/C56H66ClF2N6O9PS3.C55H63ClF2N6O6S3/c1-37(2)65-39(4)55(77(5,70)71)53(54(65)40-10-12-43(57)13-11-40)42-33-44(58)35-48(34-42)64-28-26-63(27-29-64)47-16-14-45(15-17-47)61-78(72,73)49-18-19-51(38(3)32-49)60-46(36-76-52-9-7-6-8-50(52)59)22-25-62-23-20-41(21-24-62)56(66)74-30-31-75(67,68)69;1-36(2)64-38(4)53(72(6,67)68)51(52(64)39-11-13-41(56)14-12-39)40-32-42(57)34-46(33-40)63-29-27-62(28-30-63)45-17-15-43(16-18-45)60-73(69,70)47-19-20-49(37(3)31-47)59-44(35-71-50-10-8-7-9-48(50)58)21-24-61-25-22-55(5,23-26-61)54(65)66/h6-19,32-35,37,41,46,60-61H,20-31,36H2,1-5H3,(H2,67,68,69);7-20,31-34,36,44,59-60H,21-30,35H2,1-6H3,(H,65,66)/t46-;44-/m11/s1.
What are the key properties of 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid?
1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid has a molecular weight of 2241.60 g/mol, XLogP of 22.51, 39 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]-4-methylpiperidine-4-carboxylic acid;2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-methylanilino]-4-(2-fluorophenyl)sulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid is sourced from PubChem (CID 159356692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).