SB-568849   Click here for help

GtoPdb Ligand ID: 1312

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 50.8
Molecular weight 472.2
XLogP 5.6
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCNCCOc1ccc(cc1OC)N(C(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C
Isomeric SMILES CCNCCOc1ccc(cc1OC)N(C(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C
InChI InChI=1S/C26H27F3N2O3/c1-4-30-15-16-34-23-14-13-22(17-24(23)33-3)31(2)25(32)20-7-5-18(6-8-20)19-9-11-21(12-10-19)26(27,28)29/h5-14,17,30H,4,15-16H2,1-3H3
InChI Key SCEZYQWIHJHQDL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-(2-ethylaminoethoxy)-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
Database Links Click here for help
GtoPdb PubChem SID 135651010
PubChem CID 16046160
Search Google for chemical match using the InChIKey SCEZYQWIHJHQDL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SCEZYQWIHJHQDL
Search UniChem for chemical match using the InChIKey SCEZYQWIHJHQDL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SCEZYQWIHJHQDL