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CHEBI:756967 - ak-106
| Formula | C26H25N3O3 |
| Net Charge | 0 |
| Average Mass | 427.504 |
| Monoisotopic Mass | 427.18959 |
| SMILES | Cn1ncc2cc(-c3cc(CCC(=O)O)cc(N)c3OC3Cc4ccccc4C3)ccc21 |
| InChI | InChI=1S/C26H25N3O3/c1-29-24-8-7-19(12-20(24)15-28-29)22-10-16(6-9-25(30)31)11-23(27)26(22)32-21-13-17-4-2-3-5-18(17)14-21/h2-5,7-8,10-12,15,21H,6,9,13-14,27H2,1H3,(H,30,31) |
| InChIKey | ULNYPYSSPODXCS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antirheumatic drug A drug used to treat rheumatoid arthritis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ak-106 (CHEBI:756967) has role antirheumatic drug (CHEBI:35842) |
| ak-106 (CHEBI:756967) is a benzenes (CHEBI:22712) |
| ak-106 (CHEBI:756967) is a monocarboxylic acid (CHEBI:25384) |
| Synonyms | Source |
|---|---|
| AK-106 | ChEMBL |
| AK106 | ChEMBL |
| AK106-001616 | ChEMBL |