compound 1754-31 [PMID: 23788657]

Ligand id: 6263

Name: compound 1754-31 [PMID: 23788657]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 113.5
Molecular weight 721.42
XLogP 9.27
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Pinilla C, Edwards BS, Appel JR, Yates-Gibbins T, Giulianotti MA, Medina-Franco JL, Young SM, Santos RG, Sklar LA, Houghten RA. (2013)
Selective agonists and antagonists of formylpeptide receptors: duplex flow cytometry and mixture-based positional scanning libraries.
Mol. Pharmacol., 84 (3): 314-24. [PMID:23788657]