3064599-36-3
(1R,2S,6R)-2-[4-[(1,2-dimethylbenzimidazol-5-yl)sulfonyl-methylamino]phenyl]-6-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
Molecular Identity
3064599-36-3
(1R,2S,6R)-2-[4-[(1,2-dimethylbenzimidazol-5-yl)sulfonyl-methylamino]phenyl]-6-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID: 172618374
2D Structure
Properties
C31H30F4N4O5S
Molecular Formula
646.70
Molecular Weight
g/mol
646.1873
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
130
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
1180
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(11)
3064599-36-3(1R,2R,6S)-2-((2-Fluoro-4-(trifluoromethyl)phenyl)carbamoyl)-6-(4-((N,1,2-trimethyl-1H-benzo[d]imidazole)-5-sulfonamido)phenyl)cyclohexane-1-carboxylic acidS38AE44HWCorb2945994SCHEMBL31195083EX-A12462AT48466GSK4418959GSK4418959 (IDE275)(1R,2S,6R)-2-[4-[(1,2-dimethylbenzimidazol-5-yl)sulfonyl-methylamino]phenyl]-6-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid2-[4-[(1,2-Dimethylbenzimidazol-5-yl)sulfonyl-methylamino]phenyl]-6-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid, (1R,2S,6R)-
Data from PubChem (NCBI)
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