EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19F3N4O3S |
| Net Charge | 0 |
| Average Mass | 464.469 |
| Monoisotopic Mass | 464.11300 |
| SMILES | COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OC)c1 |
| InChI | InChI=1S/C21H19F3N4O3S/c1-30-17-7-6-13(18(10-17)31-2)11-25-28-19(29)9-16-12-32-20(27-16)26-15-5-3-4-14(8-15)21(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,26,27)(H,28,29) |
| InChIKey | KEWQTTXJFFTKFZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]acetamide (CHEBI:105820) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17181 | LINCS |