EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H28N4O3S |
| Net Charge | 0 |
| Average Mass | 452.580 |
| Monoisotopic Mass | 452.18821 |
| SMILES | COc1ccc(CCNC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1OC |
| InChI | InChI=1S/C24H28N4O3S/c1-30-20-10-9-17(15-21(20)31-2)11-12-25-22(29)16-32-24-23(28-13-5-6-14-28)26-18-7-3-4-8-19(18)27-24/h3-4,7-10,15H,5-6,11-14,16H2,1-2H3,(H,25,29) |
| InChIKey | UCABZKBWGVOSTC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide (CHEBI:94139) is a quinoxaline derivative (CHEBI:38771) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4752 | LINCS |