BX 048

Ligand id: 1766

Name: BX 048

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 175.67
Molecular weight 558.23
XLogP 1.68
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Post JM, Alexander S, Wang YX, Vincelette J, Vergona R, Kent L, Bryant J, Sullivan ME, Dole WP, Morser J, Subramanyam B. (2008)
Novel P2Y12 adenosine diphosphate receptor antagonists for inhibition of platelet aggregation (II): pharmacodynamic and pharmacokinetic characterization.
Thromb Res122: 533-540. [PMID:18539312]