EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H27F3N2O2 |
| Net Charge | 0 |
| Average Mass | 396.453 |
| Monoisotopic Mass | 396.20246 |
| SMILES | CC=Cc1ccc([C@@H]2[C@H](CO)N(C(=O)CC)C23CN(CCC(F)(F)F)C3)cc1 |
| InChI | InChI=1S/C21H27F3N2O2/c1-3-5-15-6-8-16(9-7-15)19-17(12-27)26(18(28)4-2)20(19)13-25(14-20)11-10-21(22,23)24/h3,5-9,17,19,27H,4,10-14H2,1-2H3/t17-,19+/m0/s1 |
| InChIKey | OXPIPBJZSPYAON-PKOBYXMFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-41161 (CHEBI:129610) is a azetidines (CHEBI:38777) |
| LSM-41161 (CHEBI:129610) is a benzenes (CHEBI:22712) |
| LSM-41161 (CHEBI:129610) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41161 | LINCS |