CHEBI:149960 - 3-Ethyl-2-[(E)-2-[(E)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[g][1,3]benzothiazol-3-ium

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ChEBI Name 3-Ethyl-2-[(E)-2-[(E)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[g][1,3]benzothiazol-3-ium
ChEBI ID CHEBI:149960
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H31N2S2
Net Charge +1
Average Mass 471.700
Monoisotopic Mass 471.19232
InChI InChI=1S/C29H31N2S2/c1-6-21(17-27-31(8-3)25-15-19(4)20(5)16-26(25)32-27)18-28-30(7-2)24-14-13-22-11-9-10-12-23(22)29(24)33-28/h9-18H,6-8H2,1-5H3/q+1
InChIKey ILOBGOMQHCDPQT-UHFFFAOYSA-N
SMILES C1(/C=C(/C=C\2/SC3=C(C=C(C(=C3)C)C)N2CC)\CC)=[N+](CC)C=4C=CC=5C(=CC=CC5)C4S1
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via 3-Ethyl-2-[(E)-2-[(E)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[g][1,3]benzothiazol-3-ium )
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ChEBI Ontology
Outgoing 3-Ethyl-2-[(E)-2-[(E)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[g][1,3]benzothiazol-3-ium (CHEBI:149960) has role anticoronaviral agent (CHEBI:149553)
3-Ethyl-2-[(E)-2-[(E)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[g][1,3]benzothiazol-3-ium (CHEBI:149960) is a naphthothiazole (CHEBI:48903)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL