EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H31N7O3S2 |
| Net Charge | 0 |
| Average Mass | 553.714 |
| Monoisotopic Mass | 553.19298 |
| SMILES | NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(CCN4CCCCC4)nn23)cc1 |
| InChI | InChI=1S/C26H31N7O3S2/c27-38(35,36)20-10-8-19(9-11-20)12-14-28-24(34)18-37-26-29-22-7-3-2-6-21(22)25-30-23(31-33(25)26)13-17-32-15-4-1-5-16-32/h2-3,6-11H,1,4-5,12-18H2,(H,28,34)(H2,27,35,36) |
| InChIKey | UVHQKRMKRABMMB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[2-[2-(1-piperidinyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CHEBI:117088) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28535 | LINCS |