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Chemical structure of Basroparib

GC73130

Basroparib

Also known as 5-[4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-3-methyl-6H-triazolo[4,5-d]pyrimidin-7-one

Basroparib is a potent poly (ADP-ribose) polymerase (PARP) inhibitor, with antineoplastic activity

ChemicalCAS1858179-75-5MW421.4FormulaC18H21F2N7O3
CAS number
1858179-75-5
Molecular weight
421.4
Formula
C18H21F2N7O3
Solubility
DMSO ： 100 mg/mL (237·30 mM; Need ultrasonic)
InChIKey
ALDDPEMJJONRDI-UHFFFAOYSA-N
Catalogue number
GC73130
Brand
GLPBIO
Computed properties PubChem CID 137017382 · XLogP 0.8 · TPSA 97.1 Ų · H-bond donors 1
XLogP
0.8
TPSA
97.1 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
30

SMILES CN1C2=C(C(=O)NC(=N2)N3CCN(CC3)C4=C(C=C(C=C4F)OCCOC)F)N=N1

Computed descriptors from PubChem (CID 137017382), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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