compound 18 [PMID: 15664838]

Ligand id: 6536

Name: compound 18 [PMID: 15664838]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 69.88
Molecular weight 504.23
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jiaang WT, Chen YS, Hsu T, Wu SH, Chien CH, Chang CN, Chang SP, Lee SJ, Chen X. (2005)
Novel isoindoline compounds for potent and selective inhibition of prolyl dipeptidase DPP8.
Bioorg. Med. Chem. Lett., 15 (3): 687-91. [PMID:15664838]