EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H29ClN3O3S |
| Net Charge | +1 |
| Average Mass | 523.078 |
| Monoisotopic Mass | 522.16127 |
| SMILES | CCC[n+]1cn(C(C(=O)c2ccc(OC)c(OC)c2)C(=S)Nc2cccc(Cl)c2C)c2ccccc21 |
| InChI | InChI=1S/C28H28ClN3O3S/c1-5-15-31-17-32(23-12-7-6-11-22(23)31)26(28(36)30-21-10-8-9-20(29)18(21)2)27(33)19-13-14-24(34-3)25(16-19)35-4/h6-14,16-17,26H,5,15H2,1-4H3/p+1 |
| InChIKey | KDKYHLKGBVCGMU-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-16348 (CHEBI:104985) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16348 | LINCS |