EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H35N3O |
| Net Charge | 0 |
| Average Mass | 417.597 |
| Monoisotopic Mass | 417.27801 |
| SMILES | CN(C)C(=O)c1ccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4CC3CCCCC3)cc2)cc1 |
| InChI | InChI=1S/C27H35N3O/c1-29(2)27(31)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26-24-16-28-17-25(26)30(24)18-19-6-4-3-5-7-19/h8-15,19,24-26,28H,3-7,16-18H2,1-2H3/t24-,25+,26? |
| InChIKey | ATAYYBNOPZRKIP-IQCGEYIDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[4-[(1S,5R)-6-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:128410) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39965 | LINCS |