compound 66 [PMID: 21802293]

Ligand id: 8212

Name: compound 66 [PMID: 21802293]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 134.45
Molecular weight 477.07
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wenglowsky S, Ahrendt KA, Buckmelter AJ, Feng B, Gloor SL, Gradl S, Grina J, Hansen JD, Laird ER, Lunghofer P et al.. (2011)
Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg. Med. Chem. Lett., 21 (18): 5533-7. [PMID:21802293]