AS70

Ligand id: 382

Name: AS70

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 119.9
Molecular weight 534.27
XLogP 2.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-{1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-5-yl}-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
Synonyms
AS 70 | AS-70
Database Links
ChEMBL Ligand CHEMBL33455
PubChem CID 67159066
Search Google for chemical match using the InChIKey BVHLYIIHYJFKSI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BVHLYIIHYJFKSI
Search UniChem for chemical match using the InChIKey BVHLYIIHYJFKSI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BVHLYIIHYJFKSI
Comments
The tautomeric structure shown here is replicated from [1] and may not be identical to representations of the same compound in different databases, where alternative tautomers may be shown e.g. CID 18454379.