Ligand id: 9405

Name: BS-181

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 80.27
Molecular weight 380.27
XLogP 5.17
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Ali S, Heathcote DA, Kroll SH, Jogalekar AS, Scheiper B, Patel H, Brackow J, Siwicka A, Fuchter MJ, Periyasamy M et al.. (2009)
The development of a selective cyclin-dependent kinase inhibitor that shows antitumor activity.
Cancer Res., 69 (15): 6208-15. [PMID:19638587]