EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22F3N3O |
| Net Charge | 0 |
| Average Mass | 401.432 |
| Monoisotopic Mass | 401.17150 |
| SMILES | CC=Cc1ccc(C2[C@@H]3CN(C(=O)Nc4ccc(C(F)(F)F)cc4)C[C@H]2N3)cc1 |
| InChI | InChI=1S/C22H22F3N3O/c1-2-3-14-4-6-15(7-5-14)20-18-12-28(13-19(20)27-18)21(29)26-17-10-8-16(9-11-17)22(23,24)25/h2-11,18-20,27H,12-13H2,1H3,(H,26,29)/t18-,19+,20? |
| InChIKey | OLWBUYWDQCJCAM-YOFSQIOKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36507 (CHEBI:125045) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36507 | LINCS |