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

Classification
Compound class Synthetic organic
IUPAC Name
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-ylpyridin-4-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
Database Links
BindingDB Ligand 50321054
ChEMBL Ligand CHEMBL1163566
GtoPdb PubChem SID 249565888
PubChem CID 46871653
Search Google for chemical match using the InChIKey AHZCYZMNFBGXAC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AHZCYZMNFBGXAC
Search UniChem for chemical match using the InChIKey AHZCYZMNFBGXAC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AHZCYZMNFBGXAC
Comments
Compound 5n is reported in [1] as a novel inhibitor anaplastic lymphoma receptor tyrosine kinase (ALK).