EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H17N5O3S2 |
| Net Charge | 0 |
| Average Mass | 475.555 |
| Monoisotopic Mass | 475.07728 |
| SMILES | Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4nc(-c5ccccc5)cs4)nnc12)OCO3 |
| InChI | InChI=1S/C23H17N5O3S2/c1-13-7-15-8-18-19(31-12-30-18)9-17(15)28-21(13)26-27-23(28)33-11-20(29)25-22-24-16(10-32-22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,24,25,29) |
| InChIKey | VMCNPERZTWTVQD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-3933 (CHEBI:93510) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3933 | LINCS |