EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H26N4O3S |
| Net Charge | 0 |
| Average Mass | 498.608 |
| Monoisotopic Mass | 498.17256 |
| SMILES | CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1 |
| InChI | InChI=1S/C28H26N4O3S/c1-17-9-7-12-22(18(17)2)32-24(33)16-36-28-21(15-29)26(23-13-8-14-35-23)25(19(3)30-28)27(34)31-20-10-5-4-6-11-20/h4-14,26,30H,16H2,1-3H3,(H,31,34)(H,32,33) |
| InChIKey | RJTGZCXDBPSENF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-cyano-6-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CHEBI:109413) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20811 | LINCS |