EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H28N4O |
| Net Charge | 0 |
| Average Mass | 412.537 |
| Monoisotopic Mass | 412.22631 |
| SMILES | CN(C)C(=O)c1ccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)cc1 |
| InChI | InChI=1S/C26H28N4O/c1-29(2)26(31)21-12-8-19(9-13-21)18-6-10-20(11-7-18)25-23-15-27-16-24(25)30(23)17-22-5-3-4-14-28-22/h3-14,23-25,27H,15-17H2,1-2H3/t23-,24+,25? |
| InChIKey | PMAQFXFJPMEQHW-XMGLRAKGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-dimethyl-4-[4-[(1R,5S)-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (CHEBI:129293) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40844 | LINCS |