compound 4 [PMID: 23083103]

Ligand id: 6148

Name: compound 4 [PMID: 23083103]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 8
Rotatable bonds 14
Topological polar surface area 501.12
Molecular weight 899.98
XLogP -6.05
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Chang H, Yanachkov IB, Dix EJ, Li YF, Barnard MR, Wright GE, Michelson AD, Frelinger 3rd AL. (2012)
Modified diadenosine tetraphosphates with dual specificity for P2Y1 and P2Y12 are potent antagonists of ADP-induced platelet activation.
J. Thromb. Haemost., 10 (12): 2573-80. [PMID:23083103]