compound 27 [PMID: 20346665]

Ligand id: 6210

Name: compound 27 [PMID: 20346665]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 100.35
Molecular weight 323.08
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Sasikumar TK, Qiang L, Burnett DA, Greenlee WJ, Li C, Grilli M, Bertorelli R, Lozza G, Reggiani A. (2010)
A-ring modifications on the triazafluorenone core structure and their mGluR1 antagonist properties.
Bioorg. Med. Chem. Lett.20 (8): 2474-7. [PMID:20346665]