BMS compound 4c

Ligand id: 5901

Name: BMS compound 4c

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 88.17
Molecular weight 470.14
XLogP 8.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Ruel R, L'heureux A, Thibeault C, Daris JP, Martel A, Price LA, Wu Q, Hua J, Wexler RR, Rehfuss R et al.. (2013)
New azole antagonists with high affinity for the P2Y1 receptor.
Bioorg. Med. Chem. Lett.23 (12): 3519-22. [PMID:23668989]