EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20N4O4S3 |
| Net Charge | 0 |
| Average Mass | 512.638 |
| Monoisotopic Mass | 512.06467 |
| SMILES | COc1ccc2nc(=O)c(CN(Cc3cccs3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 |
| InChI | InChI=1S/C23H20N4O4S3/c1-14-5-7-20-21(26-33-25-20)22(14)34(29,30)27(13-18-4-3-9-32-18)12-16-10-15-11-17(31-2)6-8-19(15)24-23(16)28/h3-11H,12-13H2,1-2H3,(H,24,28) |
| InChIKey | QJSLRPRLHYKHKP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CHEBI:107302) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18656 | LINCS |