compound 20 [PMID: 22136433]

Ligand id: 8156

Name: compound 20 [PMID: 22136433]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 69.85
Molecular weight 362.07
XLogP 1.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Huber K, Brault L, Fedorov O, Gasser C, Filippakopoulos P, Bullock AN, Fabbro D, Trappe J, Schwaller J, Knapp S et al.. (2012)
7,8-dichloro-1-oxo-β-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
J. Med. Chem., 55 (1): 403-13. [PMID:22136433]