compound 66 [PMID: 21802293]

Ligand id: 8212

Name: compound 66 [PMID: 21802293]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 134.45
Molecular weight 477.07
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,6-difluoro-3-[(3-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
Database Links
ChEMBL Ligand CHEMBL1822258
GtoPdb PubChem SID 249565892
PubChem CID 53484100
Search Google for chemical match using the InChIKey WGFNXGPBPIJYLI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WGFNXGPBPIJYLI
Search UniChem for chemical match using the InChIKey WGFNXGPBPIJYLI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WGFNXGPBPIJYLI
Comments
Compound 66 is reported in [1], a medicinal chemistry/structure-based design study to identify improved inhibitors of BRAFV600E.