EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H17FN6O3S |
| Net Charge | 0 |
| Average Mass | 452.471 |
| Monoisotopic Mass | 452.10669 |
| SMILES | O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NC(=O)NCc1ccco1 |
| InChI | InChI=1S/C21H17FN6O3S/c22-15-3-5-16(6-4-15)28-19(14-7-9-23-10-8-14)26-27-21(28)32-13-18(29)25-20(30)24-12-17-2-1-11-31-17/h1-11H,12-13H2,(H2,24,25,29,30) |
| InChIKey | HEDBGTSQVYBAMV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide (CHEBI:109673) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21101 | LINCS |