compound 37 [PMID: 24418773]

Ligand id: 8612

Name: compound 37 [PMID: 24418773]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 15
Topological polar surface area 183.42
Molecular weight 522.3
XLogP 1.93
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Bach P, Knerr L, Fjellström O, Hansson K, Mattsson C, Gustafsson D. (2014)
Design, synthesis, and SAR of a series of activated protein C (APC) inhibitors with selectivity against thrombin for the treatment of haemophilia.
Bioorg. Med. Chem. Lett., 24 (3): 821-7. [PMID:24418773]