AS96

Ligand id: 442

Name: AS96

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 113.39
Molecular weight 530.24
XLogP 1.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(8Z)-8-[2-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-3-ylidene]-1,3-di(prop-2-enyl)purine-2,6-dione
Synonyms
AS 96 | AS-96
Database Links
PubChem CID 10174812
Search Google for chemical match using the InChIKey ZGPHNPBSZODLNU-GFMRDNFCSA-N
Search Google for chemicals with the same backbone ZGPHNPBSZODLNU
Search UniChem for chemical match using the InChIKey ZGPHNPBSZODLNU-GFMRDNFCSA-N
Search UniChem for chemicals with the same backbone ZGPHNPBSZODLNU