SEW2871   Click here for help

GtoPdb Ligand ID: 2926

Synonyms: SEW 2871 | SEW-2871
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 67.16
Molecular weight 440.04
XLogP 6.5
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F
Isomeric SMILES FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F
InChI InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
InChI Key OYMNPJXKQVTQTR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Synonyms Click here for help
SEW 2871 | SEW-2871
Database Links Click here for help
BindingDB Ligand 50158345
CAS Registry No. 256414-75-2 (source: Scifinder)
ChEMBL Ligand CHEMBL224720
GtoPdb PubChem SID 135651038
PubChem CID 4077460
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Tocris
SEW 2871
Cat. No. 2284