compound R-16 [PMID: 21967808]

Ligand id: 8213

Name: compound R-16 [PMID: 21967808]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 140.38
Molecular weight 594.23
XLogP 4.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(3R)-8-[[5-chloro-4-[2-fluoro-6-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]pyrrolidine-1-carboxamide
Database Links
ChEMBL Ligand CHEMBL1939491
PubChem CID 56597775
Search Google for chemical match using the InChIKey HGSNUBHWAMMKIR-JOCHJYFZSA-N
Search Google for chemicals with the same backbone HGSNUBHWAMMKIR
Search UniChem for chemical match using the InChIKey HGSNUBHWAMMKIR-JOCHJYFZSA-N
Search UniChem for chemicals with the same backbone HGSNUBHWAMMKIR
Comments
Compound R-16 is reported in [1], a study to improve oral availability of 2,4-diaminopyrimidine c-Met (hepatocyte growth factor receptor) inhibitors.