betrixaban

Ligand id: 9602

Name: betrixaban

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 107.41
Molecular weight 451.14
XLogP 4.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Zhang P, Huang W, Wang L, Bao L, Jia ZJ, Bauer SM, Goldman EA, Probst GD, Song Y, Su T et al.. (2009)
Discovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide, a highly potent, selective, and orally efficacious factor Xa inhibitor.
Bioorg. Med. Chem. Lett.19 (8): 2179-85. [PMID:19297154]