2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid

C146H138Cl7F2N11O28S11 — CID 157254883

IUPAC2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid
SMILESC=Cc1cc(SOOC)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3.CC(c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC2CC(=O)O.CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3.CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1cncc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O
InChIInChI=1S/C23H22ClNO4S.2C22H21ClFNO4S.C20H18Cl2N2O4S2.C20H19ClN2O4S2.C20H20N2O4S2.C19H17ClN2O4S2/c1-3-15-10-18(30-29-28-2)12-20-19-9-6-16(11-21(26)27)23(19)25(22(15)20)13-14-4-7-17(24)8-5-14;1-12(13-3-6-15(23)7-4-13)25-21-14(9-20(26)27)5-8-17(21)18-10-16(24)11-19(22(18)25)30(2,28)29;1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13;1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20;1-29(26,27)16-11-22-10-15-18(16)20(28-14-6-4-13(21)5-7-14)19-12(9-17(24)25)3-2-8-23(15)19;1-28(25,26)15-9-10-21-20-17(15)19(27-14-7-3-2-4-8-14)18-13(12-16(23)24)6-5-11-22(18)20;1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h3-5,7-8,10,12,16H,1,6,9,11,13H2,2H3,(H,26,27);3-4,6-7,10-12,14H,5,8-9H2,1-2H3,(H,26,27);5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27);4-7,10-11H,2-3,8-9H2,1H3,(H,25,26);4-7,10-12H,2-3,8-9H2,1H3,(H,24,25);2-4,7-10,13H,5-6,11-12H2,1H3,(H,23,24);2-6,8,11H,7,9-10H2,1H3,(H,23,24)
InChIKeyAWTRVJMIYFADDD-UHFFFAOYSA-N
MW3133.66 g/mol
LogP33.80
Rot. Bonds38

About 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid

2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid (PubChem CID 157254883) has the molecular formula C146H138Cl7F2N11O28S11 and a molecular weight of 3133.66 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid
PubChem CID157254883
Molecular FormulaC146H138Cl7F2N11O28S11
Molecular Weight3133.66 g/mol
Exact Mass3127.44
IUPAC Name2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid
SMILESC=Cc1cc(SOOC)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3.CC(c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC2CC(=O)O.CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3.CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1cncc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O
InChIInChI=1S/C23H22ClNO4S.2C22H21ClFNO4S.C20H18Cl2N2O4S2.C20H19ClN2O4S2.C20H20N2O4S2.C19H17ClN2O4S2/c1-3-15-10-18(30-29-28-2)12-20-19-9-6-16(11-21(26)27)23(19)25(22(15)20)13-14-4-7-17(24)8-5-14;1-12(13-3-6-15(23)7-4-13)25-21-14(9-20(26)27)5-8-17(21)18-10-16(24)11-19(22(18)25)30(2,28)29;1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13;1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20;1-29(26,27)16-11-22-10-15-18(16)20(28-14-6-4-13(21)5-7-14)19-12(9-17(24)25)3-2-8-23(15)19;1-28(25,26)15-9-10-21-20-17(15)19(27-14-7-3-2-4-8-14)18-13(12-16(23)24)6-5-11-22(18)20;1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h3-5,7-8,10,12,16H,1,6,9,11,13H2,2H3,(H,26,27);3-4,6-7,10-12,14H,5,8-9H2,1-2H3,(H,26,27);5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27);4-7,10-11H,2-3,8-9H2,1H3,(H,25,26);4-7,10-12H,2-3,8-9H2,1H3,(H,24,25);2-4,7-10,13H,5-6,11-12H2,1H3,(H,23,24);2-6,8,11H,7,9-10H2,1H3,(H,23,24)
InChIKeyAWTRVJMIYFADDD-UHFFFAOYSA-N
XLogP33.80
TPSA570.47 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds38
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.66
LogP ≤ 533.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid (CID 157254883) is 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid is C=Cc1cc(SOOC)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3.CC(c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC2CC(=O)O.CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3.CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1cncc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O.CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid?
The InChIKey is AWTRVJMIYFADDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S.2C22H21ClFNO4S.C20H18Cl2N2O4S2.C20H19ClN2O4S2.C20H20N2O4S2.C19H17ClN2O4S2/c1-3-15-10-18(30-29-28-2)12-20-19-9-6-16(11-21(26)27)23(19)25(22(15)20)13-14-4-7-17(24)8-5-14;1-12(13-3-6-15(23)7-4-13)25-21-14(9-20(26)27)5-8-17(21)18-10-16(24)11-19(22(18)25)30(2,28)29;1-30(28,29)19-11-16(24)10-18-17-4-2-3-14(9-20(26)27)21(17)25(22(18)19)12-13-5-7-15(23)8-6-13;1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20;1-29(26,27)16-11-22-10-15-18(16)20(28-14-6-4-13(21)5-7-14)19-12(9-17(24)25)3-2-8-23(15)19;1-28(25,26)15-9-10-21-20-17(15)19(27-14-7-3-2-4-8-14)18-13(12-16(23)24)6-5-11-22(18)20;1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h3-5,7-8,10,12,16H,1,6,9,11,13H2,2H3,(H,26,27);3-4,6-7,10-12,14H,5,8-9H2,1-2H3,(H,26,27);5-8,10-11,14H,2-4,9,12H2,1H3,(H,26,27);4-7,10-11H,2-3,8-9H2,1H3,(H,25,26);4-7,10-12H,2-3,8-9H2,1H3,(H,24,25);2-4,7-10,13H,5-6,11-12H2,1H3,(H,23,24);2-6,8,11H,7,9-10H2,1H3,(H,23,24).
What are the key properties of 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid?
2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid has a molecular weight of 3133.66 g/mol, XLogP of 33.80, 38 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)ethyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[4-[(4-chlorophenyl)methyl]-5-ethenyl-7-methylperoxysulfanyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[9-[(4-chlorophenyl)methyl]-6-fluoro-8-methylsulfonyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-7,8-dihydro-6H-pyrido[4,3-e]pyrrolizin-6-yl]acetic acid;2-[5-(4-chlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[4,3-b]indolizin-6-yl]acetic acid;2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid;2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid is sourced from PubChem (CID 157254883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).