EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22F3N3O3S2 |
| Net Charge | 0 |
| Average Mass | 497.564 |
| Monoisotopic Mass | 497.10547 |
| SMILES | CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O |
| InChI | InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27) |
| InChIKey | WRUWGLUCNBMGPS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| I-BRD9 (CHEBI:747477) is a organic molecular entity (CHEBI:50860) |
| Registry Numbers | Sources |
|---|---|
| CAS:1714146-59-4 | CAS |