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

References
1. Wu F, B├╝ttner FH, Chen R, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Paw Z et al.. (2010)
Substituted 2H-isoquinolin-1-one as potent Rho-Kinase inhibitors. Part 1: Hit-to-lead account.
Bioorg. Med. Chem. Lett.20 (11): 3235-9. [PMID:20462760]