2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid

C139H128Cl4F4N8O22S2 — CID 162173316

IUPAC2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
SMILESCC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3.CC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O.CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21.CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O.O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc21.O=C(O)Cc1cccc(NC(=O)c2ccc(OCC3CNc4ccccc4O3)cc2)c1
InChIInChI=1S/C25H24N2O5.C24H22N2O5.C23H23ClFNO2S.C23H21ClFNO2.C22H19ClFNO5S.C22H19ClFNO3/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-18(10-12-20)25(30)26-19-6-4-5-17(13-19)14-24(28)29;27-23(28)13-16-4-3-5-18(12-16)26-24(29)17-8-10-19(11-9-17)30-15-20-14-25-21-6-1-2-7-22(21)31-20;1-13(2)18-11-16(25)12-19-21(18)23(29-17-7-5-15(24)6-8-17)22-14(10-20(27)28)4-3-9-26(19)22;24-16-6-1-13(2-7-16)12-26-22-15(9-21(27)28)5-8-18(22)20-11-17(25)10-19(23(20)26)14-3-4-14;1-31(29,30)17-11-15(24)10-16-19(17)20(22(28)12-4-6-14(23)7-5-12)21-13(9-18(26)27)3-2-8-25(16)21;1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29);1-12,20,25H,13-15H2,(H,26,29)(H,27,28);5-8,11-14H,3-4,9-10H2,1-2H3,(H,27,28);1-2,6-7,10-11,14-15H,3-5,8-9,12H2,(H,27,28);4-7,10-11,13H,2-3,8-9H2,1H3,(H,26,27);2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t21-;;14-;15-;13-;14-/m0.1111/s1
InChIKeyZOBLGFLMGQCOOW-LBVVQIBHSA-N
MW2544.52 g/mol
LogP30.19
Rot. Bonds34

About 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid

2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid (PubChem CID 162173316) has the molecular formula C139H128Cl4F4N8O22S2 and a molecular weight of 2544.52 g/mol. Its IUPAC name is 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
PubChem CID162173316
Molecular FormulaC139H128Cl4F4N8O22S2
Molecular Weight2544.52 g/mol
Exact Mass2540.73
IUPAC Name2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
SMILESCC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3.CC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O.CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21.CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O.O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc21.O=C(O)Cc1cccc(NC(=O)c2ccc(OCC3CNc4ccccc4O3)cc2)c1
InChIInChI=1S/C25H24N2O5.C24H22N2O5.C23H23ClFNO2S.C23H21ClFNO2.C22H19ClFNO5S.C22H19ClFNO3/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-18(10-12-20)25(30)26-19-6-4-5-17(13-19)14-24(28)29;27-23(28)13-16-4-3-5-18(12-16)26-24(29)17-8-10-19(11-9-17)30-15-20-14-25-21-6-1-2-7-22(21)31-20;1-13(2)18-11-16(25)12-19-21(18)23(29-17-7-5-15(24)6-8-17)22-14(10-20(27)28)4-3-9-26(19)22;24-16-6-1-13(2-7-16)12-26-22-15(9-21(27)28)5-8-18(22)20-11-17(25)10-19(23(20)26)14-3-4-14;1-31(29,30)17-11-15(24)10-16-19(17)20(22(28)12-4-6-14(23)7-5-12)21-13(9-18(26)27)3-2-8-25(16)21;1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29);1-12,20,25H,13-15H2,(H,26,29)(H,27,28);5-8,11-14H,3-4,9-10H2,1-2H3,(H,27,28);1-2,6-7,10-11,14-15H,3-5,8-9,12H2,(H,27,28);4-7,10-11,13H,2-3,8-9H2,1H3,(H,26,27);2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t21-;;14-;15-;13-;14-/m0.1111/s1
InChIKeyZOBLGFLMGQCOOW-LBVVQIBHSA-N
XLogP30.19
TPSA422.19 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002544.52
LogP ≤ 530.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

2-[(9R)-1-acetyl-10-(4-chlorophenyl)sulfanyl-3-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid
CID 59363865
2-[4-chloro-3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 54764677
2-[4-methyl-3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 67313260
2-[4-methoxy-3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 67321023
2-[5-[[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 56668529
2-[3-[4-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]phenyl]sulfonylbutylamino]phenyl]acetic acid
CID 91256188
2-[(1S)-6,8-difluoro-9-[(4-methylsulfonylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 6604920
methyl 2-[3-[[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenoxy]methyl]phenyl]acetate
CID 174481322
2-[3-methyl-5-[[2-methyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 56672019
2-[(1R)-9-benzyl-6,8-difluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11581192
[4-chloro-3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl] acetate
CID 174481321
2-[10-(4-chlorophenyl)sulfanyl-1-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-9-yl]acetic acid
CID 10410349

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid (CID 162173316) is 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid is CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3.CC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O.CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21.CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O.O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc21.O=C(O)Cc1cccc(NC(=O)c2ccc(OCC3CNc4ccccc4O3)cc2)c1.
What is the InChIKey of 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid?
The InChIKey is ZOBLGFLMGQCOOW-LBVVQIBHSA-N. The full InChI is InChI=1S/C25H24N2O5.C24H22N2O5.C23H23ClFNO2S.C23H21ClFNO2.C22H19ClFNO5S.C22H19ClFNO3/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-18(10-12-20)25(30)26-19-6-4-5-17(13-19)14-24(28)29;27-23(28)13-16-4-3-5-18(12-16)26-24(29)17-8-10-19(11-9-17)30-15-20-14-25-21-6-1-2-7-22(21)31-20;1-13(2)18-11-16(25)12-19-21(18)23(29-17-7-5-15(24)6-8-17)22-14(10-20(27)28)4-3-9-26(19)22;24-16-6-1-13(2-7-16)12-26-22-15(9-21(27)28)5-8-18(22)20-11-17(25)10-19(23(20)26)14-3-4-14;1-31(29,30)17-11-15(24)10-16-19(17)20(22(28)12-4-6-14(23)7-5-12)21-13(9-18(26)27)3-2-8-25(16)21;1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29);1-12,20,25H,13-15H2,(H,26,29)(H,27,28);5-8,11-14H,3-4,9-10H2,1-2H3,(H,27,28);1-2,6-7,10-11,14-15H,3-5,8-9,12H2,(H,27,28);4-7,10-11,13H,2-3,8-9H2,1H3,(H,26,27);2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t21-;;14-;15-;13-;14-/m0.1111/s1.
What are the key properties of 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid?
2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid has a molecular weight of 2544.52 g/mol, XLogP of 30.19, 34 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-acetyl-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorobenzoyl)-3-fluoro-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[(3R)-4-[(4-chlorophenyl)methyl]-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;2-[(9R)-10-(4-chlorophenyl)sulfanyl-3-fluoro-1-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl]acetic acid;2-[3-[[4-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzoyl]amino]phenyl]acetic acid;2-[3-[[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 162173316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).