compound 1 [PMID: 21882820]

Ligand id: 8831

Name: compound 1 [PMID: 21882820]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 90.84
Molecular weight 317.93
XLogP 4.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Sheriff S, Beno BR, Zhai W, Kostich WA, McDonnell PA, Kish K, Goldfarb V, Gao M, Kiefer SE, Yanchunas J et al.. (2011)
Small molecule receptor protein tyrosine phosphatase γ (RPTPγ) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop.
J. Med. Chem., 54 (19): 6548-62. [PMID:21882820]