compound 5n [PMID: 20483621]

Ligand id: 8208

Name: compound 5n [PMID: 20483621]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 56.32
Molecular weight 488.17
XLogP 4.21
No. Lipinski's rules broken 0

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]