compound 26 [PMID: 21733693]

Ligand id: 8783

Name: compound 26 [PMID: 21733693]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 158.85
Molecular weight 667.16
XLogP 5.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Stellwagen JC, Adjabeng GM, Arnone MR, Dickerson SH, Han C, Hornberger KR, King AJ, Mook Jr RA, Petrov KG, Rheault TR et al.. (2011)
Development of potent B-RafV600E inhibitors containing an arylsulfonamide headgroup.
Bioorg. Med. Chem. Lett., 21 (15): 4436-40. [PMID:21733693]