EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24FN5O2S |
| Net Charge | 0 |
| Average Mass | 429.521 |
| Monoisotopic Mass | 429.16347 |
| SMILES | Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccc(F)cc1 |
| InChI | InChI=1S/C21H24FN5O2S/c1-26-10-2-4-17(26)12-19-24-25-21(27(19)16-8-6-15(22)7-9-16)30-14-20(28)23-13-18-5-3-11-29-18/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,23,28) |
| InChIKey | VSPDCSSRROXDMQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-oxolanylmethyl)acetamide (CHEBI:107675) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19054 | LINCS |