EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H25F2N3OS |
| Net Charge | 0 |
| Average Mass | 489.591 |
| Monoisotopic Mass | 489.16864 |
| SMILES | O=c1c2ccccc2nc(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
| InChI | InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35) |
| InChIKey | ZCNBZFRECRPCKU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[2-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one (CHEBI:109551) is a diarylmethane (CHEBI:51614) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20968 | LINCS |