(+)-SJ733
(3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
Molecular Identity
(+)-SJ733
(3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID: 89508529
2D Structure
Properties
C24H16F4N4O2
Molecular Formula
468.40
Molecular Weight
g/mol
468.1209
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
86.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
813
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
(+)-SJ7331424799-20-1SJ-733SJ733VT3A7NA96K(3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamideRefChem:183263UNII-VT3A7NA96K(3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-(pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide(3S,4S)-1-Oxo-3-pyridin-3-yl-2-(2,2,2-trifluoro-ethyl)-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid (3-cyano-4-fluoro-phenyl)-amideMFCD30532619(+)​-​SJ733GTPL9723orb1706425CHEMBL4207489
Data from PubChem (NCBI)
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