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
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.
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