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CHEBI:46609 - (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid
| Formula | C19H12F3N3O3S |
| Net Charge | 0 |
| Average Mass | 419.384 |
| Monoisotopic Mass | 419.05515 |
| SMILES | O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12 |
| InChI | InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27) |
| InChIKey | BCSVCWVQNOXFGL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid (CHEBI:46609) has functional parent acetic acid (CHEBI:15366) |
| (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid (CHEBI:46609) is a benzothiazoles (CHEBI:37947) |
| (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid (CHEBI:46609) is a organofluorine compound (CHEBI:37143) |
| (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid (CHEBI:46609) is a phthalazines (CHEBI:38768) |
| Synonyms | Source |
|---|---|
| 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | PDBeChem |
| (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | PDBeChem |
| Alond | KEGG DRUG |
| Zopolrestat | KEGG COMPOUND |