Acalisib
6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
Molecular Identity
Acalisib
6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
PubChem CID: 11618268
2D Structure
Properties
C21H16FN7O
Molecular Formula
401.40
Molecular Weight
g/mol
401.1400
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
99.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
670
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
AcalisibAcalisib [INN]GS-9820CAL-120UNII-OVW60IDW1DOVW60IDW1DCAL120GS9820ACALISIB [WHO-DD]6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one6-Fluoro-3-phenyl-2-((1S)-1-(7H-purin-6-ylamino)ethyl)quinazolin-4(3H)-oneacalisibum6-fluoro-3-phenyl-2-((1S)-1-(7H-purin-6-ylamino)ethyl)quinazolin-4-one6-fluoro-3-phenyl-2-((1S)-1-((7H-purin-6-yl)amino)ethyl)-3,4-dihydroquinazolin-4-one6-fluoro-3-phenyl-2-[(1S)-1-[(7H-purin-6-yl)amino]ethyl]-3,4-dihydroquinazolin-4-one
Data from PubChem (NCBI)
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Drug Network
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