Slx-4090
phenyl 6-[[3-methoxy-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular Identity
Slx-4090
phenyl 6-[[3-methoxy-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID: 53497429
2D Structure
Properties
C31H25F3N2O4
Molecular Formula
546.50
Molecular Weight
g/mol
546.1766
Exact Mass
Da
6.5
XLogP
Above Lipinski threshold
67.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
856
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(CC4)C(=O)OC5=CC=CC=C5)C=C3Isomeric SMILES
SMILES: COC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(CC4)C(=O)OC5=CC=CC=C5)C=C3Synonyms(20)
SLx-4090913541-47-6KD-026F84YQX13FV2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-[[[6-methoxy-4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]-, phenyl esterphenyl 6-[[3-methoxy-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylateUNII-F84YQX13FV2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-(((6-methoxy-4'-(trifluoromethyl)(1,1'-biphenyl)-2-yl)carbonyl)amino)-, phenyl esterPhenyl 6-((3-methoxy-2-(4-(trifluoromethyl)phenyl)benzoyl)amino)-3,4-dihydro-1H-isoquinoline-2-carboxylatephenyl 6-(6-methoxy-4'-(trifluoromethyl)-(1,1'-biphenyl)-2-amido)-1,2,3,4-tetrahydroisoquinoline-2-carboxylatephenyl 6-[6-methoxy-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]-1,2,3,4-tetrahydroisoquinoline-2-carboxylateRefChem:183374MFCD28502203Phenyl 6-(6-methoxy-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-ylcarboxamido)-3,4-dihydroisoquinoline-2(1H)-carboxylateorb1305038
Data from PubChem (NCBI)
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