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
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.
Database Links
ChEMBL Ligand CHEMBL33455
GtoPdb PubChem SID 135649961
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