EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H28N4O3S |
| Net Charge | 0 |
| Average Mass | 416.547 |
| Monoisotopic Mass | 416.18821 |
| SMILES | CCOC(=O)N1CCN(C(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1 |
| InChI | InChI=1S/C21H28N4O3S/c1-3-28-21(27)25-12-10-23(11-13-25)19(26)16-4-5-17-18(14-16)29-20(22-17)24-8-6-15(2)7-9-24/h4-5,14-15H,3,6-13H2,1-2H3 |
| InChIKey | GAXAQCUOYOCDGP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[2-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:107837) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19214 | LINCS |