CI-966

Ligand id: 4612

Name: CI-966

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 49.77
Molecular weight 473.14
XLogP 6.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(2-{bis[4-(trifluoromethyl)phenyl]methoxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid
Synonyms
CI 966 | CI966
Database Links
CAS Registry No. 110283-79-9 (source: Scifinder)
ChEMBL Ligand CHEMBL77287
PubChem CID 198693
Search Google for chemical match using the InChIKey CMHQDSBIBSKHFP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CMHQDSBIBSKHFP
Search UniChem for chemical match using the InChIKey CMHQDSBIBSKHFP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CMHQDSBIBSKHFP
Wikipedia CI-966