compound 51 [Crosignani et al., 2011]

Ligand id: 8777

Name: compound 51 [Crosignani et al., 2011]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 84
Molecular weight 409.12
XLogP 5.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Crosignani S, Jorand-Lebrun C, Campbell G, Pretre A, Grippi-Vallotton, T, Quattropani, A, Bouscary-Desforges G, Bombrun A, Missotten, M, Humbert Y et al.. (2011)
Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids.
ACS Med Chem Lett, 2: 938-942.