EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H24FN3O3 |
| Net Charge | 0 |
| Average Mass | 433.483 |
| Monoisotopic Mass | 433.18017 |
| SMILES | O=C(NCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2 |
| InChI | InChI=1S/C25H24FN3O3/c26-17-8-4-7-16(11-17)18-9-10-21-23-22(24(31)27-12-15-5-2-1-3-6-15)19(14-30)20(28-23)13-29(21)25(18)32/h1-11,19-20,22-23,28,30H,12-14H2,(H,27,31)/t19-,20-,22+,23+/m1/s1 |
| InChIKey | VSJWYLDRVGFTPJ-SCPDWHHUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-12034 (CHEBI:100660) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12034 | LINCS |