EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19FN4O3S2 |
| Net Charge | 0 |
| Average Mass | 458.540 |
| Monoisotopic Mass | 458.08826 |
| SMILES | O=C(Nc1nnc(C2CC2)s1)C1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F |
| InChI | InChI=1S/C21H19FN4O3S2/c22-16-7-3-4-8-18(16)31(28,29)26-12-15-6-2-1-5-14(15)11-17(26)19(27)23-21-25-24-20(30-21)13-9-10-13/h1-8,13,17H,9-12H2,(H,23,25,27) |
| InChIKey | XWBZNRYIHZLLEP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CHEBI:116304) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27759 | LINCS |