EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H16ClF3N4O3 |
| Net Charge | 0 |
| Average Mass | 440.809 |
| Monoisotopic Mass | 440.08630 |
| SMILES | O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cnc(C(F)F)cn3)(C1)C2 |
| InChI | InChI=1S/C19H16ClF3N4O3/c20-11-2-1-10(3-12(11)21)30-6-15(28)26-18-7-19(8-18,9-18)27-17(29)14-5-24-13(4-25-14)16(22)23/h1-5,16H,6-9H2,(H,26,28)(H,27,29) |
| InChIKey | HYQJXXCYOYRNMP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2BAct (CHEBI:747375) is a organic molecular entity (CHEBI:50860) |
| Registry Numbers | Sources |
|---|---|
| CAS:2143542-28-1 | CAS |