compound 18 [PMID: 17723296]

Ligand id: 6443

Name: compound 18 [PMID: 17723296]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 71.69
Molecular weight 276.1
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wendt JA, Deeter SD, Bove SE, Knauer CS, Brooker RM, Augelli-Szafran CE, Schwarz RD, Kinsora JJ, Kilgore KS. (2007)
Synthesis and SAR of 2-aryl pyrido[2,3-d]pyrimidines as potent mGlu5 receptor antagonists.
Bioorg. Med. Chem. Lett., 17 (19): 5396-9. [PMID:17723296]