BMS compound 4c

Ligand id: 5901

Name: BMS compound 4c

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 88.17
Molecular weight 470.14
XLogP 8.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(2-tert-butylphenoxy)-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}pyridin-3-amine
Database Links
ChEMBL Ligand CHEMBL2393201
PubChem CID 71655433
Search Google for chemical match using the InChIKey ROIKEXLVELZTIZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ROIKEXLVELZTIZ
Search UniChem for chemical match using the InChIKey ROIKEXLVELZTIZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ROIKEXLVELZTIZ