compound 27 [PMID: 21123062]

Ligand id: 8210

Name: compound 27 [PMID: 21123062]

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 99.25
Molecular weight 510.19
XLogP 5.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
Database Links
BindingDB Ligand 50334085
ChEMBL Ligand CHEMBL1644812
PubChem CID 50942314
Search Google for chemical match using the InChIKey KHBUKOVUBUJCGM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KHBUKOVUBUJCGM
Search UniChem for chemical match using the InChIKey KHBUKOVUBUJCGM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KHBUKOVUBUJCGM
Comments
Compound 27 is reported in a medicinal chemistry study to identify novel c-MET (hepatocyte growth factor receptor) inhibitors [1].