compound 58 [PMID: 25037917]

Ligand id: 8520

Name: compound 58 [PMID: 25037917]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 49.33
Molecular weight 404.14
XLogP 5.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Zipp GG, Barbosa J, Green MA, Terranova KM, Fink C, Yu XC, Nouraldeen A, Wilson A, Savelieva K, Lanthorn TH et al.. (2014)
Novel inhibitors of the high-affinity L-proline transporter as potential therapeutic agents for the treatment of cognitive disorders.
Bioorg. Med. Chem. Lett., 24 (16): 3886-90. [PMID:25037917]