EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H22F2N4O2 |
| Net Charge | 0 |
| Average Mass | 436.462 |
| Monoisotopic Mass | 436.17108 |
| SMILES | O=C(Nc1cc(F)ccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cccnc1 |
| InChI | InChI=1S/C24H22F2N4O2/c25-16-7-8-18(26)19(10-16)28-24(32)30-13-21-23(17-5-1-2-6-20(17)30)22(14-31)29(21)12-15-4-3-9-27-11-15/h1-11,21-23,31H,12-14H2,(H,28,32)/t21-,22-,23+/m0/s1 |
| InChIKey | FGRNHJGXTXXJTE-RJGXRXQPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,2aR,8bR)-N-(2,5-difluorophenyl)-1-(hydroxymethyl)-2-(3-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide (CHEBI:128534) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40088 | LINCS |