compound 1 [PMID: 20080612]

Ligand id: 5819

Name: compound 1 [PMID: 20080612]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 96.78
Molecular weight 333.1
XLogP 3.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jiang J, Ganesh T, Du Y, Thepchatri P, Rojas A, Lewis I, Kurtkaya S, Li L, Qui M, Serrano G et al.. (2010)
Neuroprotection by selective allosteric potentiators of the EP2 prostaglandin receptor.
Proc. Natl. Acad. Sci. U.S.A., 107 (5): 2307-12. [PMID:20080612]