EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20N4O3 |
| Net Charge | 0 |
| Average Mass | 388.427 |
| Monoisotopic Mass | 388.15354 |
| SMILES | COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1 |
| InChI | InChI=1S/C22H20N4O3/c1-28-18-11-9-16(10-12-18)14-20(27)26-22(23-15-19-8-5-13-29-19)24-21(25-26)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,23,24,25) |
| InChIKey | CJJOUVXDKSMTCH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone (CHEBI:107037) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18391 | LINCS |