EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H17N3O2S |
| Net Charge | 0 |
| Average Mass | 411.486 |
| Monoisotopic Mass | 411.10415 |
| SMILES | COc1cccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)c1 |
| InChI | InChI=1S/C24H17N3O2S/c1-29-16-8-6-7-15(13-16)21-14-18(17-9-2-3-10-19(17)25-21)23(28)27-24-26-20-11-4-5-12-22(20)30-24/h2-14H,1H3,(H,26,27,28) |
| InChIKey | LTFMFZZHUKXPMV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide (CHEBI:120720) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32162 | LINCS |