Elismetrep
4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
Molecular Identity
Elismetrep
4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
PubChem CID: 66548125
2D Structure
Properties
C27H21F3N2O5S
Molecular Formula
542.50
Molecular Weight
g/mol
542.1123
Exact Mass
Da
6.3
XLogP
Above Lipinski threshold
105
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
922
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C2=C(N=CC3=CC=CC=C32)N(CC4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)C(=O)OIsomeric SMILES
SMILES: C1CC1C2=C(N=CC3=CC=CC=C32)N(CC4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)C(=O)OSynonyms(20)
Elismetrep1400699-64-0KIB8V5UR7DMT-8554MT85544-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid4-(((4-Cyclopropyl-3-isoquinolinyl)((4-(trifluoromethoxy)phenyl)methyl)amino)sulfonyl)benzoic acidBenzoic acid, 4-(((4-cyclopropyl-3-isoquinolinyl)((4-(trifluoromethoxy)phenyl)methyl)amino)sulfonyl)-elismetrepum4-((4-cyclopropylisoquinolin-3-yl)-((4-(trifluoromethoxy)phenyl)methyl)sulfamoyl)benzoic acidRefChem:10840724-((4-cyclopropylisoquinolin-3-yl)(((4-(trifluoromethoxy)phenyl)methyl))sulfamoyl)benzoic acidElismetrep [INN]Elismetrep [USAN]Elismetrep [USAN:INN]
Data from PubChem (NCBI)
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