Usistapida
methyl (2S)-2-phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]acetate
Molecular Identity
Usistapida
methyl (2S)-2-phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]acetate
PubChem CID: 46894104
2D Structure
Properties
C34H31F3N2O3
Molecular Formula
572.60
Molecular Weight
g/mol
572.2287
Exact Mass
Da
7.5
XLogP
Above Lipinski threshold
58.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
868
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C(C1=CC=CC=C1)N2CCC(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(F)(F)FIsomeric SMILES
SMILES: COC(=O)[C@H](C1=CC=CC=C1)N2CCC(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=C(C=C5)C(F)(F)FSynonyms(14)
403989-79-7UsistapidaJNJ-16269110-AAAJNJ16269110R-256918SCHEMBL803531orb1694957CHEMBL2103860SCHEMBL29376869WSYALRNYQFNNGP-HKBQPEDESA-NAKOS040754310T35005methyl (2S)-2-phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]acetateMethyl (S)-2-phenyl-2-(4-(4-(4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxamido)phenyl)piperidin-1-yl)acetate
Data from PubChem (NCBI)
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