EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H19N3O2S |
| Net Charge | 0 |
| Average Mass | 353.447 |
| Monoisotopic Mass | 353.11980 |
| SMILES | Cc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1 |
| InChI | InChI=1S/C19H19N3O2S/c1-12-5-7-13(8-6-12)15-11-14(18(23)24)16-17(20-15)21-19(25-16)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,23,24) |
| InChIKey | AZLNHYOVLUPYEJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-methylphenyl)-2-(1-piperidinyl)-7-thiazolo[4,5-b]pyridinecarboxylic acid (CHEBI:105078) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16441 | LINCS |