Runcaciguat
(3S)-3-[4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl]-3-cyclopropylpropanoic acid
Molecular Identity
Runcaciguat
(3S)-3-[4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl]-3-cyclopropylpropanoic acid
PubChem CID: 134440946
2D Structure
Properties
C23H22Cl2F3NO3
Molecular Formula
488.30
Molecular Weight
g/mol
487.0929
Exact Mass
Da
6.6
XLogP
Above Lipinski threshold
66.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
665
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Runcaciguat1402936-61-15EZ01YDT5SBAY 1101042Benzenepropanoic acid, 4-chloro-3-(((2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methyl-1-oxobutyl)amino)-beta-cyclopropyl-, (betaS)-runcaciguatumRefChem:180319(3S)-3-(4-CHLORO-3-(((2S,3R)-2-(4-CHLOROPHENYL-4,4,4-TRIFLUORO-3-METHYLBUTANOYL)AMINO)PHENYL)-3-CYCLOPROPYLPROPANOIC ACIDRuncaciguat [INN]UNII-5EZ01YDT5S(3S)-3-[4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl]-3-cyclopropylpropanoic acid(3S)-3-(4-Chloro-3-(((2S,3R)-2-(4-chlorophenyl-4,4,4- trifluoro-3-methylbutanoyl)amino)phenyl)-3- cyclopropylpropanoic acid(S)-3-(4-Chloro-3-((2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanamido)phenyl)-3-cyclopropylpropanoic acidRuncaciguat?(3S)-3-(4-Chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl)-3-cyclopropylpropanoic acid
Data from PubChem (NCBI)
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