EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H24FN3O3 |
| Net Charge | 0 |
| Average Mass | 421.472 |
| Monoisotopic Mass | 421.18017 |
| SMILES | Cc1c(Cc2ccc(-n3cccn3)cc2)cc2c(c1F)CN([C@H]1COCC[C@@H]1O)C2=O |
| InChI | InChI=1S/C24H24FN3O3/c1-15-17(11-16-3-5-18(6-4-16)28-9-2-8-26-28)12-19-20(23(15)25)13-27(24(19)30)21-14-31-10-7-22(21)29/h2-6,8-9,12,21-22,29H,7,10-11,13-14H2,1H3/t21-,22-/m0/s1 |
| InChIKey | WFSARWQASFQZMG-VXKWHMMOSA-N |
| Roles Classification |
|---|
| Application: | antiparkinson drug A drug used in the treatment of Parkinson's disease. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tak-071 (CHEBI:757847) has role antiparkinson drug (CHEBI:48407) |
| tak-071 (CHEBI:757847) is a pyrazoles (CHEBI:26410) |
| tak-071 (CHEBI:757847) is a ring assembly (CHEBI:36820) |
| Synonym | Source |
|---|---|
| Tak-071 | ChEMBL |