Ligand Id: 1402
Ligand name 4-MPPTS

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


Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
Synonyms
2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(3-pyridinylmethyl)-ethanesulphonamide
N-(4-(2-methoxyphenoxy)phenyl)-N-(2,2,2-trifluoroethylsulfonyl)pyrid-3-ylmethylamine
LY487379
Database Links
BindingDB Ligand 50130608
ChEBI CHEBI:279168
ChEMBL Ligand 279168
PubChem CID 9825084
Search Google for chemical match using the InChIKey ALMACYDZFBMGOR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ALMACYDZFBMGOR
Wikipedia LY-487,379
ZINC ZINC01494188

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