EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H26F3N3O2 |
| Net Charge | 0 |
| Average Mass | 445.485 |
| Monoisotopic Mass | 445.19771 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CO)N(C(=O)c3ccccn3)C23CN(CCC(F)(F)F)C3)cc1 |
| InChI | InChI=1S/C24H26F3N3O2/c1-2-5-17-7-9-18(10-8-17)21-20(14-31)30(22(32)19-6-3-4-12-28-19)23(21)15-29(16-23)13-11-24(25,26)27/h2-10,12,20-21,31H,11,13-16H2,1H3/t20-,21+/m1/s1 |
| InChIKey | CJVCPBULMXGFOT-RTWAWAEBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-42179 (CHEBI:130630) is a azetidines (CHEBI:38777) |
| LSM-42179 (CHEBI:130630) is a benzenes (CHEBI:22712) |
| LSM-42179 (CHEBI:130630) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42179 | LINCS |