compound 3a [PMID: 16099654]

Ligand id: 6205

Name: compound 3a [PMID: 16099654]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 77.25
Molecular weight 307.1
XLogP 2.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Vieira E, Huwyler J, Jolidon S, Knoflach F, Mutel V, Wichmann J. (2005)
9H-Xanthene-9-carboxylic acid [1,2,4]oxadiazol-3-yl- and (2H-tetrazol-5-yl)-amides as potent, orally available mGlu1 receptor enhancers.
Bioorg. Med. Chem. Lett., 15 (20): 4628-31. [PMID:16099654]