EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H28N2O3 |
| Net Charge | 0 |
| Average Mass | 392.499 |
| Monoisotopic Mass | 392.20999 |
| SMILES | COc1cccc(-c2ccc(C3[C@@H]4CN(C(=O)C5CCOCC5)C[C@H]3N4)cc2)c1 |
| InChI | InChI=1S/C24H28N2O3/c1-28-20-4-2-3-19(13-20)16-5-7-17(8-6-16)23-21-14-26(15-22(23)25-21)24(27)18-9-11-29-12-10-18/h2-8,13,18,21-23,25H,9-12,14-15H2,1H3/t21-,22+,23? |
| InChIKey | AJBUMCZTMHNJAQ-AIZNXBIQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(4-oxanyl)methanone (CHEBI:125033) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36495 | LINCS |