compound 5m [PMID: 20483621]

Ligand id: 8206

Name: compound 5m [PMID: 20483621]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 51.71
Molecular weight 583.23
XLogP 6.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Milkiewicz KL, Weinberg LR, Albom MS, Angeles TS, Cheng M, Ghose AK, Roemmele RC, Theroff JP, Underiner TL, Zificsak CA et al.. (2010)
Synthesis and structure-activity relationships of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as potent and selective inhibitors of the anaplastic lymphoma kinase.
Bioorg. Med. Chem.18 (12): 4351-62. [PMID:20483621]