MK-0686
methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
Molecular Identity
MK-0686
methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
PubChem CID: 16102897
2D Structure
Properties
C22H19ClF4N2O4
Molecular Formula
486.80
Molecular Weight
g/mol
486.0969
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
84.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
761
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
MK-0686578727-68-1MK 0686MK0686(1,1'-Biphenyl)-2-carboxylic acid, 3-chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-, methyl esterM310323W0UDTXSID202065873-Chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-(1,1'-biphenyl)-2-carboxylic acid, methyl esterRefChem:159176DTXCID50129078methyl 3-chloro-3'-fluoro-4'-((1R)-1-((1-(2,2,2-trifluoroacetamido)cyclopropyl)formamido)ethyl)-(1,1'-biphenyl)-2-carboxylateCHEMBL232943methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate(R)-Methyl 3-chloro-3'-fluoro-4'-(1-(1-(2,2,2-trifluoroacetamido)cyclopropanecarboxamido)ethyl)-[1,1'-biphenyl]-2-carboxylatemethyl (R)-3-chloro-3'-fluoro-4'-(1-(1-(2,2,2-trifluoroacetamido)cyclopropane-1-carboxamido)ethyl)-[1,1'-biphenyl]-2-carboxylate
Data from PubChem (NCBI)
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Drug Network
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