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

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]