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

References
1. Bosanac T, Hickey ER, Ginn J, Kashem M, Kerr S, Kugler S, Li X, Olague A, Schlyer S, Young ER. (2010)
Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.
Bioorg. Med. Chem. Lett.20 (12): 3746-9. [PMID:20471253]