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CHEBI:759151 - sipagladenant
| Formula | C20H19N3O4S |
| Net Charge | 0 |
| Average Mass | 397.456 |
| Monoisotopic Mass | 397.10963 |
| SMILES | Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1 |
| InChI | InChI=1S/C20H19N3O4S/c1-12-4-5-14(11-21-12)19(25)23-20-22-16(15-3-2-8-27-15)18(28-20)17(24)13-6-9-26-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,23,25) |
| InChIKey | KMFLQPJJHQNKKF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antiparkinson drug A drug used in the treatment of Parkinson's disease. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sipagladenant (CHEBI:759151) has role antiparkinson drug (CHEBI:48407) |
| sipagladenant (CHEBI:759151) is a aromatic carboxylic acid (CHEBI:33859) |
| sipagladenant (CHEBI:759151) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| INN | Source |
|---|---|
| sipagladenant | WHO MedNet |
| Synonyms | Source |
|---|---|
| Kw-6356 | ChEMBL |
| KW6356 | ChEMBL |