compound 32 [PMID: 20471253]

Ligand id: 8184

Name: compound 32 [PMID: 20471253]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 70.23
Molecular weight 401.07
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL1082821
GtoPdb PubChem SID 249565864
PubChem CID 46871820
Search Google for chemical match using the InChIKey XBFAFSAUQFDEOK-JKSUJKDBSA-N
Search Google for chemicals with the same backbone XBFAFSAUQFDEOK
Search UniChem for chemical match using the InChIKey XBFAFSAUQFDEOK-JKSUJKDBSA-N
Search UniChem for chemicals with the same backbone XBFAFSAUQFDEOK
Comments
Compound 32 was identified as a Rho kinase 2 (ROCK2) inhibitor [1].