EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H25FN2O |
| Net Charge | 0 |
| Average Mass | 388.486 |
| Monoisotopic Mass | 388.19509 |
| SMILES | COc1cccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4Cc3ccccc3F)cc2)c1 |
| InChI | InChI=1S/C25H25FN2O/c1-29-21-7-4-6-19(13-21)17-9-11-18(12-10-17)25-23-14-27-15-24(25)28(23)16-20-5-2-3-8-22(20)26/h2-13,23-25,27H,14-16H2,1H3/t23-,24+,25? |
| InChIKey | CUQPRTZJLUEGSO-XMGLRAKGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,5S)-6-[(2-fluorophenyl)methyl]-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:128627) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40181 | LINCS |