EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H26N4O3S2 |
| Net Charge | 0 |
| Average Mass | 470.620 |
| Monoisotopic Mass | 470.14463 |
| SMILES | Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCCCCC1 |
| InChI | InChI=1S/C23H26N4O3S2/c1-17-10-11-18(14-21(17)32(29,30)27-12-6-2-3-7-13-27)26-22(28)15-31-23-19-8-4-5-9-20(19)24-16-25-23/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,26,28) |
| InChIKey | BTCGXZHPIJJNKU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide (CHEBI:121795) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33238 | LINCS |