EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H36F4N4O4 |
| Net Charge | 0 |
| Average Mass | 616.656 |
| Monoisotopic Mass | 616.26727 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O |
| InChI | InChI=1S/C32H36F4N4O4/c1-20-16-40(21(2)19-41)30(42)15-23-14-27(38-31(43)37-26-10-8-25(33)9-11-26)12-13-28(23)44-29(20)18-39(3)17-22-4-6-24(7-5-22)32(34,35)36/h4-14,20-21,29,41H,15-19H2,1-3H3,(H2,37,38,43)/t20-,21+,29+/m0/s1 |
| InChIKey | RAWKXIVYXKZPFJ-BNJCFXFUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:128644) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40198 | LINCS |