compound 8 [PMID: 22533316]

Ligand id: 6716

Name: compound 8 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 13
Topological polar surface area 32.78
Molecular weight 440.27
XLogP 7.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Staedler D, Chapuis-Bernasconi C, Dehmlow H, Fischer H, Juillerat-Jeanneret L, Aebi JD. (2012)
Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells.
J. Med. Chem.55 (11): 4990-5002. [PMID:22533316]