EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H31N3O5S |
| Net Charge | 0 |
| Average Mass | 449.573 |
| Monoisotopic Mass | 449.19844 |
| SMILES | COc1ccc(-c2nc(CS(=O)CC(=O)NCCCN3CCCC3)c(C)o2)cc1OC |
| InChI | InChI=1S/C22H31N3O5S/c1-16-18(24-22(30-16)17-7-8-19(28-2)20(13-17)29-3)14-31(27)15-21(26)23-9-6-12-25-10-4-5-11-25/h7-8,13H,4-6,9-12,14-15H2,1-3H3,(H,23,26) |
| InChIKey | HTZDZRCLILGQEB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-[3-(1-pyrrolidinyl)propyl]acetamide (CHEBI:107909) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19286 | LINCS |