EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H34N4O2S |
| Net Charge | 0 |
| Average Mass | 442.629 |
| Monoisotopic Mass | 442.24025 |
| SMILES | CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)NC1CCCCC1)NC(=O)C2C#N |
| InChI | InChI=1S/C24H34N4O2S/c1-23(2,3)16-9-11-24(12-10-16)18(13-25)21(30)28-22(19(24)14-26)31-15-20(29)27-17-7-5-4-6-8-17/h16-18H,4-12,15H2,1-3H3,(H,27,29)(H,28,30) |
| InChIKey | VEHXFZAAPHNEKX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)thio]-N-cyclohexylacetamide (CHEBI:114335) is a tetrahydropyridine (CHEBI:26921) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25795 | LINCS |