EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H29F3N2O |
| Net Charge | 0 |
| Average Mass | 430.514 |
| Monoisotopic Mass | 430.22320 |
| SMILES | Cc1c(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc2n1C |
| InChI | InChI=1S/C25H29F3N2O/c1-18-22(21-8-3-4-9-23(21)29(18)2)16-30-12-10-24(17-31,11-13-30)15-19-6-5-7-20(14-19)25(26,27)28/h3-9,14,31H,10-13,15-17H2,1-2H3 |
| InChIKey | XUPRUNUGPGVWPP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [1-[(1,2-dimethyl-3-indolyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methanol (CHEBI:111334) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22790 | LINCS |