EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H28F2N4O4 |
| Net Charge | 0 |
| Average Mass | 486.519 |
| Monoisotopic Mass | 486.20786 |
| SMILES | CC=Cc1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)Nc1cc(F)ccc1F |
| InChI | InChI=1S/C25H28F2N4O4/c1-3-5-14-6-9-19-22-21(23(33)28-10-4-2)16(13-32)20(12-30(19)24(14)34)31(22)25(35)29-18-11-15(26)7-8-17(18)27/h3,5-9,11,16,20-22,32H,4,10,12-13H2,1-2H3,(H,28,33)(H,29,35)/t16-,20-,21+,22+/m0/s1 |
| InChIKey | ICXYKFCCQOPFQC-FBEWHJACSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14582 (CHEBI:103238) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14582 | LINCS |