MRS7469

Ligand id: 10235

Name: MRS7469

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 116.32
Molecular weight 433.19
XLogP 3.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,2R,3S,4R,5S)-4-{2-chloro-6-[(dicyclobutylmethyl)amino]-9H-purin-9-yl}-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
Comments
Selective A1 receptor agonist.
Database Links
GtoPdb PubChem SID 381744917
Search Google for chemical match using the InChIKey KATPAPFGRPJUHJ-MXKWNSRKSA-N
Search Google for chemicals with the same backbone KATPAPFGRPJUHJ
Search UniChem for chemical match using the InChIKey KATPAPFGRPJUHJ-MXKWNSRKSA-N
Search UniChem for chemicals with the same backbone KATPAPFGRPJUHJ