compound 26 [PMID: 16190743]

Ligand id: 2929

Name: compound 26 [PMID: 16190743]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 79.46
Molecular weight 391.19
XLogP 6.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Li Z, Chen W, Hale JJ, Lynch CL, Mills SG, Hajdu R, Keohane CA, Rosenbach MJ, Milligan JA, Shei GJ et al.. (2005)
Discovery of potent 3,5-diphenyl-1,2,4-oxadiazole sphingosine-1-phosphate-1 (S1P1) receptor agonists with exceptional selectivity against S1P2 and S1P3.
J. Med. Chem.48 (20): 6169-73. [PMID:16190743]