AS99

Ligand id: 383

Name: AS99

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 125.45
Molecular weight 493.24
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(3,4-dimethylphenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide
Synonyms
AS 99 | AS-99
Database Links
BindingDB Ligand 50140942
ChEMBL Ligand CHEMBL33491
GtoPdb PubChem SID 135649966
PubChem CID 67159016
Search Google for chemical match using the InChIKey FCMUQGWJTIVYIU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FCMUQGWJTIVYIU
Search UniChem for chemical match using the InChIKey FCMUQGWJTIVYIU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FCMUQGWJTIVYIU
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 10217693.