Mosliciguat
(5S)-5-[2-(4-carboxyphenyl)ethyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
Molecular Identity
Mosliciguat
(5S)-5-[2-(4-carboxyphenyl)ethyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
PubChem CID: 154572869
2D Structure
Properties
C41H36ClF3N2O5
Molecular Formula
729.20
Molecular Weight
g/mol
728.2265
Exact Mass
Da
7.1
XLogP
Above Lipinski threshold
100
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(C2=C(C1)N=C(C=C2)C(=O)O)N(CCC3=CC=C(C=C3)C(=O)O)CCC4=CC=CC=C4OCC5=C(C=C(C=C5)C6=CC=C(C=C6)C(F)(F)F)ClIsomeric SMILES
SMILES: C1C[C@@H](C2=C(C1)N=C(C=C2)C(=O)O)N(CCC3=CC=C(C=C3)C(=O)O)CCC4=CC=CC=C4OCC5=C(C=C(C=C5)C6=CC=C(C=C6)C(F)(F)F)ClSynonyms(20)
Mosliciguat2231749-54-3Mosliciguat [INN]FL039XI4KFUNII-FL039XI4KF(5S)-5-((2-(4-Carboxyphenyl)ethyl)(2-(2-((3-chloro-4'-(trifluoromethyl)biphenyl-4-yl)methoxy)phenyl)ethyl)amino)-5,6,7,8-tetrahydroquinoline-2-carboxylic acid2-Quinolinecarboxylic acid, 5-((2-(4-carboxyphenyl)ethyl)(2-(2-((3-chloro-4'-(trifluoromethyl)(1,1'-biphenyl)-4-yl)methoxy)phenyl)ethyl)amino)-5,6,7,8-tetrahydro-, (5S)-RefChem:159825(5S)-5-[2-(4-carboxyphenyl)ethyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acidorb1691102SCHEMBL25692877SCHEMBL30467081SCHEMBL30469936DTXSID201358959GLXC-26878
Data from PubChem (NCBI)
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