Sovesudil
propyl 3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoate
Molecular Identity
Sovesudil
propyl 3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoate
PubChem CID: 68245749
2D Structure
Properties
C23H22FN3O3
Molecular Formula
407.40
Molecular Weight
g/mol
407.1645
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
94.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
576
Complexity
SMILES
Canonical SMILES
SMILES: CCCOC(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3)F)CNIsomeric SMILES
SMILES: CCCOC(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3)F)CNSynonyms(20)
Sovesudil1333400-14-8PHP-201AMA-0076Ama0076C23O3R93BMPHP201propyl 3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoate(1,1'-Biphenyl)-3-carboxylic acid, 2'-(aminomethyl)-5'-(((3-fluoro-4-pyridinyl)amino)carbonyl)-, propyl esterpropyl 3-(2-(aminomethyl)-5-((3-fluoropyridin-4-yl)carbamoyl)phenyl)benzoate[1,1'-Biphenyl]-3-carboxylic acid, 2'-(aminomethyl)-5'-[[(3-fluoro-4-pyridinyl)amino]carbonyl]-, propyl esterRefChem:184500Sovesudil [INN]CHEMBL2440750Propyl 2'-(aminomethyl)-5'-((3-fluoropyridin-4-yl)carbamoyl)-[1,1'-biphenyl]-3-carboxylate
Data from PubChem (NCBI)
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