EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H21N5O4S2 |
| Net Charge | 0 |
| Average Mass | 519.608 |
| Monoisotopic Mass | 519.10350 |
| SMILES | COc1ccc(-c2csc(NC(=O)CSc3nnc4c(C)cc5cc6c(cc5n34)OCCO6)n2)cc1 |
| InChI | InChI=1S/C25H21N5O4S2/c1-14-9-16-10-20-21(34-8-7-33-20)11-19(16)30-23(14)28-29-25(30)36-13-22(31)27-24-26-18(12-35-24)15-3-5-17(32-2)6-4-15/h3-6,9-12H,7-8,13H2,1-2H3,(H,26,27,31) |
| InChIKey | PLKUYFLKWJFBTD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-4876 (CHEBI:94253) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4876 | LINCS |