Pf-5212372
3-[4-[2-[1-benzhydryl-5-chloro-2-[2-[[2-(trifluoromethyl)phenyl]methylsulfonylamino]ethyl]indol-3-yl]ethylsulfonyl]phenyl]propanoic acid
Molecular Identity
Pf-5212372
3-[4-[2-[1-benzhydryl-5-chloro-2-[2-[[2-(trifluoromethyl)phenyl]methylsulfonylamino]ethyl]indol-3-yl]ethylsulfonyl]phenyl]propanoic acid
PubChem CID: 15949539
2D Structure
Properties
C42H38ClF3N2O6S2
Molecular Formula
823.30
Molecular Weight
g/mol
822.1812
Exact Mass
Da
8.6
XLogP
Above Lipinski threshold
139
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
1450
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC=CC=C5C(F)(F)F)CCS(=O)(=O)C6=CC=C(C=C6)CCC(=O)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC=CC=C5C(F)(F)F)CCS(=O)(=O)C6=CC=C(C=C6)CCC(=O)OSynonyms(19)
zpl-5212372PLA-950ZPL-5217LNI1E5EFAPF-05212372ZPL 5212372916136-25-9PF-52123724-((2-(5-Chloro-1-(diphenylmethyl)-2-(2-((((2-(trifluoromethyl)phenyl)methyl)sulfonyl)amino)ethyl)-1H-indol-3-yl)ethyl)sulfonyl)benzenepropanoic acidBenzenepropanoic acid, 4-((2-(5-chloro-1-(diphenylmethyl)-2-(2-((((2-(trifluoromethyl)phenyl)methyl)sulfonyl)amino)ethyl)-1H-indol-3-yl)ethyl)sulfonyl)-RefChem:172287UNII-7LNI1E5EFA3-(4-((2-(1-Benzhydryl-5-chloro-2-(2-(((2-(trifluoromethyl)phenyl)methyl)sulfonamido)ethyl)-1H-indol-3-yl)ethyl)sulfonyl)phenyl)propanoic acidorb2814816SCHEMBL2884378
Data from PubChem (NCBI)
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