EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H21N3O2S |
| Net Charge | 0 |
| Average Mass | 391.496 |
| Monoisotopic Mass | 391.13545 |
| SMILES | Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3cccs3)nc21 |
| InChI | InChI=1S/C22H21N3O2S/c1-24-16-11-6-5-10-15(16)19(26)18-21(24)23-20(17-12-7-13-28-17)25(22(18)27)14-8-3-2-4-9-14/h5-7,10-14H,2-4,8-9H2,1H3 |
| InChIKey | XDHZYRUJBAUNQU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-cyclohexyl-10-methyl-2-thiophen-2-ylpyrimido[4,5-b]quinoline-4,5-dione (CHEBI:114476) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25937 | LINCS |