EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H31N2S2 |
| Net Charge | +1 |
| Average Mass | 471.715 |
| Monoisotopic Mass | 471.19232 |
| SMILES | CCN1/C(=C\C=C\C2=C/C(=C/c3sc4ccccc4[n+]3CC)CC(C)C2)Sc2ccccc21 |
| InChI | InChI=1S/C29H31N2S2/c1-4-30-24-12-6-8-14-26(24)32-28(30)16-10-11-22-17-21(3)18-23(19-22)20-29-31(5-2)25-13-7-9-15-27(25)33-29/h6-16,19-21H,4-5,17-18H2,1-3H3/q+1 |
| InChIKey | ITFYGTSQODOIQX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2Z)-3-Ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methylcyclohexen-1-yl]methylidene]-1,3-benzothiazole (CHEBI:149959) has role anticoronaviral agent (CHEBI:149553) |
| (2Z)-3-Ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methylcyclohexen-1-yl]methylidene]-1,3-benzothiazole (CHEBI:149959) is a benzothiazoles (CHEBI:37947) |