compound 57 [PMID: 20121197]

Ligand id: 6550

Name: compound 57 [PMID: 20121197]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 137.7
Molecular weight 516.22
XLogP 7.48
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Feuerstein GZ, Stern D. (2005)
The coagulation factor lottery- Is 9 the winning number?: An essay on future oral anticoagulants.
Drug Discovery Today: Therapeutic Strategies, 2 (3): 279-283.
2. Wang S, Beck R, Burd A, Blench T, Marlin F, Ayele T, Buxton S, Dagostin C, Malic M, Joshi R et al.. (2010)
Structure based drug design: development of potent and selective factor IXa (FIXa) inhibitors.
J. Med. Chem., 53 (4): 1473-82. [PMID:20121197]