EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H17F3N4O4 |
| Net Charge | 0 |
| Average Mass | 458.396 |
| Monoisotopic Mass | 458.12019 |
| SMILES | C=CC(=O)Nc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccno3)c2)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C22H17F3N4O4/c1-3-19(30)27-15-9-14(22(23,24)25)10-16(11-15)28-20(31)13-5-4-12(2)17(8-13)29-21(32)18-6-7-26-33-18/h3-11H,1H2,2H3,(H,27,30)(H,28,31)(H,29,32) |
| InChIKey | UASQUKUDXJFTCO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-methyl-5-[oxo-[3-(1-oxoprop-2-enylamino)-5-(trifluoromethyl)anilino]methyl]phenyl]-5-isoxazolecarboxamide (CHEBI:94550) is a benzamides (CHEBI:22702) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5394 | LINCS |