EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H14BrF3N4OS |
| Net Charge | 0 |
| Average Mass | 507.335 |
| Monoisotopic Mass | 506.00238 |
| SMILES | O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br)N1CCCc2ccccc21 |
| InChI | InChI=1S/C21H14BrF3N4OS/c22-17-18(20(30)28-9-3-6-12-5-1-2-7-14(12)28)27-29-16(21(23,24)25)11-13(26-19(17)29)15-8-4-10-31-15/h1-2,4-5,7-8,10-11H,3,6,9H2 |
| InChIKey | NDSCASPUZDGXFQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CHEBI:107882) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19259 | LINCS |