EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H12N4O2S |
| Net Charge | 0 |
| Average Mass | 336.376 |
| Monoisotopic Mass | 336.06810 |
| SMILES | Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2ncc(C#N)c12 |
| InChI | InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3 |
| InChIKey | LWGUASZLXHYWIV-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| e-7820 (CHEBI:756868) has role antineoplastic agent (CHEBI:35610) |
| e-7820 (CHEBI:756868) is a sulfonamide (CHEBI:35358) |
| Synonyms | Source |
|---|---|
| E-7820 | ChEMBL |
| E7820 | ChEMBL |
| ER-68203-00 | ChEMBL |
| Citations |
|---|