4-MPPTS

Ligand id: 1402

Name: 4-MPPTS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 77.11
Molecular weight 452.1
XLogP 5.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
Synonyms
LY-487379 | LY487379
Database Links
BindingDB Ligand 50130608
ChEBI CHEBI:279168
ChEMBL Ligand CHEMBL108939
PubChem CID 9825084
Search Google for chemical match using the InChIKey ALMACYDZFBMGOR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ALMACYDZFBMGOR
Search UniChem for chemical match using the InChIKey ALMACYDZFBMGOR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ALMACYDZFBMGOR
Wikipedia LY-487,379