compound 29b [PMID: 20809633]

Ligand id: 6430

Name: compound 29b [PMID: 20809633]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 42.16
Molecular weight 333.13
XLogP 4.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Burdi DF, Hunt R, Fan L, Hu T, Wang J, Guo Z, Huang Z, Wu C, Hardy L, Detheux M et al.. (2010)
Design, synthesis, and structure-activity relationships of novel bicyclic azole-amines as negative allosteric modulators of metabotropic glutamate receptor 5.
J. Med. Chem., 53 (19): 7107-18. [PMID:20809633]