EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H24FN3O3 |
| Net Charge | 0 |
| Average Mass | 409.461 |
| Monoisotopic Mass | 409.18017 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 |
| InChI | InChI=1S/C23H24FN3O3/c1-2-3-15-4-6-16(7-5-15)22-19-12-26(13-21(29)27(19)20(22)14-28)23(30)25-18-10-8-17(24)9-11-18/h2-11,19-20,22,28H,12-14H2,1H3,(H,25,30)/t19-,20+,22-/m0/s1 |
| InChIKey | PXSSOCWCVDYTEO-VWPQPMDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40294 (CHEBI:128740) is a azetidines (CHEBI:38777) |
| LSM-40294 (CHEBI:128740) is a benzenes (CHEBI:22712) |
| LSM-40294 (CHEBI:128740) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40294 | LINCS |