azidopine

Ligand id: 6980

Name: azidopine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 106.09
Molecular weight 557.19
XLogP 6.03
No. Lipinski's rules broken 2

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Database Links
CAS Registry No. 90523-31-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1993397
GtoPdb PubChem SID 178103559
PubChem CID 656406
Search Google for chemical match using the InChIKey SWMHKFTXBOJETC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SWMHKFTXBOJETC
Search UniChem for chemical match using the InChIKey SWMHKFTXBOJETC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SWMHKFTXBOJETC