EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H24ClN3O5S |
| Net Charge | 0 |
| Average Mass | 538.025 |
| Monoisotopic Mass | 537.11252 |
| SMILES | COc1ccc(OC)c(C2CC(=C3C(=O)N=c4ccc(Cl)cc4=C3c3ccccc3)NN2S(C)(=O)=O)c1 |
| InChI | InChI=1S/C27H24ClN3O5S/c1-35-18-10-12-24(36-2)20(14-18)23-15-22(30-31(23)37(3,33)34)26-25(16-7-5-4-6-8-16)19-13-17(28)9-11-21(19)29-27(26)32/h4-14,23,30H,15H2,1-3H3 |
| InChIKey | DFMHFEBWELLLOX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-chloro-3-[5-(2,5-dimethoxyphenyl)-1-methylsulfonyl-3-pyrazolidinylidene]-4-phenyl-2-quinolinone (CHEBI:109754) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21182 | LINCS |