MF266-1

Ligand id: 6068

Name: MF266-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 90.82
Molecular weight 491.06
XLogP 7.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-[3-[5-chloro-2-(phenylmethoxy)phenyl]thiophen-2-yl]pyridin-3-yl]-2,2,2-trifluoroethane-1,1-diol
Database Links
ChEMBL Ligand CHEMBL185346
PubChem CID 11306423
Search Google for chemical match using the InChIKey JCCQFQOPADDTRS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JCCQFQOPADDTRS
Search UniChem for chemical match using the InChIKey JCCQFQOPADDTRS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JCCQFQOPADDTRS
Comments
Note that Clark et al (2008, PMID:18287210) depict this compound as a chloride salt.