NS13001

Ligand id: 9316

Name: NS13001

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 73.45
Molecular weight 353.12
XLogP 3.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
Database Links
PubChem CID 44472568
Search Google for chemical match using the InChIKey DVQOPNIPUIOXHU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DVQOPNIPUIOXHU
Search UniChem for chemical match using the InChIKey DVQOPNIPUIOXHU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DVQOPNIPUIOXHU
Comments
Selective positive modulator of KCa2/3 channels.