EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H19N5O3S2 |
| Net Charge | 0 |
| Average Mass | 489.582 |
| Monoisotopic Mass | 489.09293 |
| SMILES | Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nc(-c5ccccc5)cs4)nnc12)OCCO3 |
| InChI | InChI=1S/C24H19N5O3S2/c1-14-9-16-10-19-20(32-8-7-31-19)11-18(16)29-22(14)27-28-24(29)34-13-21(30)26-23-25-17(12-33-23)15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H,25,26,30) |
| InChIKey | BZWCPMNJOQACEK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-4873 (CHEBI:94250) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4873 | LINCS |