EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20N4OS |
| Net Charge | 0 |
| Average Mass | 388.496 |
| Monoisotopic Mass | 388.13578 |
| SMILES | CC(C)(C)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 |
| InChI | InChI=1S/C22H20N4OS/c1-22(2,3)20-25-26-21(28-20)24-19(27)16-13-18(14-9-5-4-6-10-14)23-17-12-8-7-11-15(16)17/h4-13H,1-3H3,(H,24,26,27) |
| InChIKey | KNVXXUYZHQCJPS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide (CHEBI:105768) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17130 | LINCS |