EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20FN3O3S2 |
| Net Charge | 0 |
| Average Mass | 433.530 |
| Monoisotopic Mass | 433.09301 |
| SMILES | COc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1 |
| InChI | InChI=1S/C20H20FN3O3S2/c1-27-17-4-2-3-15(13-17)19-14-28-20(22-19)23-9-11-24(12-10-23)29(25,26)18-7-5-16(21)6-8-18/h2-8,13-14H,9-12H2,1H3 |
| InChIKey | HDCPQQCZIGJHRM-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(3-methoxyphenyl)thiazole (CHEBI:121143) is a N-arylpiperazine (CHEBI:46848) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32586 | LINCS |