Revamilast
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide
Molecular Identity
Revamilast
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide
PubChem CID: 11546664
2D Structure
Properties
C18H9Cl2F2N3O4
Molecular Formula
440.20
Molecular Weight
g/mol
438.9938
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
88.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
741
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C2C(=C1C(=O)N=C3C(=CN(C=C3Cl)O)Cl)C4=C(O2)C=CN=C4)OC(F)FIsomeric SMILES
SMILES: C1=CC(=C2C(=C1C(=O)N=C3C(=CN(C=C3Cl)O)Cl)C4=C(O2)C=CN=C4)OC(F)FSynonyms(20)
Revamilast893555-90-3Revamilast [INN]UNII-30LE65637T30LE65637TGRC40393,5-Dichloro-4-((6-(difluoromethoxy)(1)benzofuro(3,2-c)pyridine-9-yl)carboxamido)pyridine 1-oxideN-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamideGRC-4039REVAMILAST [WHO-DD]GTPL9865CHEMBL4297527SCHEMBL19205850SCHEMBL29363696SCHEMBL36844374
Data from PubChem (NCBI)
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