Venadaparib
4-[[3-[3-[(cyclopropylamino)methyl]azetidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
Molecular Identity
Venadaparib
4-[[3-[3-[(cyclopropylamino)methyl]azetidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
PubChem CID: 117955898
2D Structure
Properties
C23H23FN4O2
Molecular Formula
406.50
Molecular Weight
g/mol
406.1805
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
73.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
703
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Venadaparib1681017-83-3Venadaparib [INN]PUP792O0IWUNII-PUP792O0IWIDX-1197VENADAPARIB [WHO-DD]1(2H)-Phthalazinone, 4-((3-((3-((cyclopropylamino)methyl)-1-azetidinyl)carbonyl)-4-fluorophenyl)methyl)-4-((3-((3-((Cyclopropylamino)methyl)-1-azetidinyl)carbonyl)-4-fluorophenyl)methyl)-1(2H)-phthalazinoneexample 26 [WO2015037939A1]example I-26 [WO2015037939A1]4-[[3-[3-[(cyclopropylamino)methyl]azetidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-oneexample 26 (WO2015037939A1)example I-26 (WO2015037939A1)4-((3-(3-((cyclopropylamino)methyl)azetidine-1-carbonyl)-4-fluorophenyl)methyl)-2H-phthalazin-1-one
Data from PubChem (NCBI)
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