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Chemical structure of WD2000-012547

GC33358

WD2000-012547

Also known as 2-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

WD2000-012547 is a selective poly(ADP-ribose)-polymerase (PARP-1) inhibitor with a pKi of 8·221

ChemicalCAS283172-68-9MW262.31FormulaC17H14N2O
CAS number
283172-68-9
Molecular weight
262.31
Formula
C17H14N2O
Solubility
Soluble in DMSO
InChIKey
CMVVSYUUFABRBC-UHFFFAOYSA-N
Catalogue number
GC33358
Brand
GLPBIO
Computed properties PubChem CID 10220882 · XLogP 3 · TPSA 44.9 Ų · H-bond donors 2
XLogP
3
TPSA
44.9 Ų
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
20

SMILES C1CNC(=O)C2=C3C1=C(NC3=CC=C2)C4=CC=CC=C4

Computed descriptors from PubChem (CID 10220882), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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