EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H15F3N4O2S |
| Net Charge | 0 |
| Average Mass | 444.438 |
| Monoisotopic Mass | 444.08678 |
| SMILES | O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1C(F)(F)F |
| InChI | InChI=1S/C21H15F3N4O2S/c22-21(23,24)13-6-2-3-7-14(13)25-16(29)11-28-15-8-4-1-5-12(15)17-18(28)19(30)27-9-10-31-20(27)26-17/h1-8H,9-11H2,(H,25,29) |
| InChIKey | URMVDBRFNKFWQR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-18426 (CHEBI:107072) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18426 | LINCS |