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Chemical structure of 1,5-Isoquinolinediol

GC40468

1,5-Isoquinolinediol

Also known as 5-hydroxy-2H-isoquinolin-1-one

The poly(ADP-ribose) polymerases (PARPs) form a family of enzymes with roles in DNA repair and apoptosis

ChemicalCAS5154-02-9MW161.2FormulaC9H7NO2
CAS number
5154-02-9
Molecular weight
161.2
Formula
C9H7NO2
Solubility
DMSO ： 37·04 mg/mL (229·83 mM; Need ultrasonic)
InChIKey
LFUJIPVWTMGYDG-UHFFFAOYSA-N
Catalogue number
GC40468
Brand
GLPBIO
Computed properties PubChem CID 1340 · XLogP 1 · TPSA 49.3 Ų · H-bond donors 2
XLogP
1
TPSA
49.3 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

SMILES C1=CC2=C(C=CNC2=O)C(=C1)O

Computed descriptors from PubChem (CID 1340), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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