telcagepant

Ligand id: 703

Name: telcagepant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 97.88
Molecular weight 566.21
XLogP 4.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
International Nonproprietary Names
INN number INN
8991 telcagepant
Synonyms
MK 0974  | MK-0974 | MK0974
Database Links
BindingDB Ligand 50224431
CAS Registry No. 781649-09-0 (source: Scifinder)
ChEMBL Ligand CHEMBL236593
PubChem CID 11319053
RCSB PDB Ligand N7R
Search Google for chemical match using the InChIKey CGDZXLJGHVKVIE-DNVCBOLYSA-N
Search Google for chemicals with the same backbone CGDZXLJGHVKVIE
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Search UniChem for chemical match using the InChIKey CGDZXLJGHVKVIE-DNVCBOLYSA-N
Search UniChem for chemicals with the same backbone CGDZXLJGHVKVIE
Wikipedia Telcagepant