EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H21N3O5 |
| Net Charge | 0 |
| Average Mass | 455.470 |
| Monoisotopic Mass | 455.14812 |
| SMILES | COc1ccc(-c2cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c3ccccc3n2)c(OC)c1 |
| InChI | InChI=1S/C26H21N3O5/c1-31-17-8-9-19(24(12-17)32-2)22-13-20(18-5-3-4-6-21(18)28-22)26(30)29-27-14-16-7-10-23-25(11-16)34-15-33-23/h3-14H,15H2,1-2H3,(H,29,30) |
| InChIKey | FTCGMANTUWVKFZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide (CHEBI:116576) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28031 | LINCS |