EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H24FN3O |
| Net Charge | 0 |
| Average Mass | 401.485 |
| Monoisotopic Mass | 401.19034 |
| SMILES | Cc1cccc(-c2ccc(C3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(F)cc3)cc2)c1 |
| InChI | InChI=1S/C25H24FN3O/c1-16-3-2-4-19(13-16)17-5-7-18(8-6-17)24-22-14-27-15-23(24)29(22)25(30)28-21-11-9-20(26)10-12-21/h2-13,22-24,27H,14-15H2,1H3,(H,28,30)/t22-,23+,24? |
| InChIKey | HIDZBFHINMVIAQ-VSGJHWFKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,5S)-N-(4-fluorophenyl)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:127931) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39487 | LINCS |