compound 22 [PMID: 20462760]

Ligand id: 8205

Name: compound 22 [PMID: 20462760]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 70.23
Molecular weight 367.11
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide
Database Links
ChEMBL Ligand CHEMBL1084106
PubChem CID 24863112
Search Google for chemical match using the InChIKey SKYALJGMRAGHEN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SKYALJGMRAGHEN
Search UniChem for chemical match using the InChIKey SKYALJGMRAGHEN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SKYALJGMRAGHEN
Comments
Compound 22 is reported in [1] as a potent inhibitor of Rho kinases 1 and 2 (ROCK1 and ROCK2).