EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H34FN3O2 |
| Net Charge | 0 |
| Average Mass | 463.597 |
| Monoisotopic Mass | 463.26351 |
| SMILES | O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 |
| InChI | InChI=1S/C28H34FN3O2/c29-23-10-4-5-11-24(23)30-28(34)31-16-6-7-17-32-25(18-31)27(26(32)19-33)22-14-12-21(13-15-22)20-8-2-1-3-9-20/h4-5,8,10-15,25-27,33H,1-3,6-7,9,16-19H2,(H,30,34)/t25-,26-,27+/m1/s1 |
| InChIKey | MIUQLUUYKGWAGV-PFBJBMPXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (8S,9S,10S)-9-[4-(1-cyclohexenyl)phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129594) is a azetidines (CHEBI:38777) |
| (8S,9S,10S)-9-[4-(1-cyclohexenyl)phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129594) is a benzenes (CHEBI:22712) |
| (8S,9S,10S)-9-[4-(1-cyclohexenyl)phenyl]-N-(2-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129594) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41145 | LINCS |