EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C23H18ClN3O2S |
| Net Charge | 0 |
| Average Mass | 435.936 |
| Monoisotopic Mass | 435.08083 |
| SMILES | CN1C(=O)C(=Cc2ccccc2Cl)Sc2ccc(C(=O)NCc3cccnc3)cc21 |
| InChI | InChI=1S/C23H18ClN3O2S/c1-27-19-11-17(22(28)26-14-15-5-4-10-25-13-15)8-9-20(19)30-21(23(27)29)12-16-6-2-3-7-18(16)24/h2-13H,14H2,1H3,(H,26,28) |
| InChIKey | DQWWOGMLOVWNHI-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-N-(3-pyridinylmethyl)-1,4-benzothiazine-6-carboxamide (CHEBI:115705) is a benzothiazine (CHEBI:46899) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27162 | LINCS |