EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H33F3N4O4 |
| Net Charge | 0 |
| Average Mass | 582.623 |
| Monoisotopic Mass | 582.24539 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C=Cc3ccccc3)cnc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C31H33F3N4O4/c1-20-17-38(21(2)19-39)29(40)26-15-23(10-9-22-7-5-4-6-8-22)16-35-28(26)42-27(20)18-37(3)30(41)36-25-13-11-24(12-14-25)31(32,33)34/h4-16,20-21,27,39H,17-19H2,1-3H3,(H,36,41)/t20-,21-,27-/m0/s1 |
| InChIKey | LBJGAAXAEUJMCP-IZVMNLJQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-39145 (CHEBI:127588) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39145 | LINCS |