E7016
4-[(4-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
Molecular Identity
E7016
4-[(4-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
PubChem CID: 11660296
2D Structure
Properties
C20H19N3O3
Molecular Formula
349.40
Molecular Weight
g/mol
349.1426
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
74.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
587
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
E7016902128-92-1E-7016GPI-21016M8926C7ILXE7016 cpdBenzopyrano(4,3,2-de)phthalazin-3(2H)-one, 10-((4-hydroxy-1-piperidinyl)methyl)-E 7016RefChem:920784PARP Inhibitor E7016UNII-M8926C7ILX10-((4-Hydroxypiperidin-1-yl)methyl)chromeno[4,3,2-de]phthalazin-3(2H)-one4-[(4-hydroxypiperidin-1-yl)methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one10-((4-hydroxypiperidin-1-yl)methyl)chromeno(4,3,2-de)phthalazin-3(2H)-oneorb1688849
Data from PubChem (NCBI)
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Drug Network
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