CHEBI:149982 - 3-[2-[(E,3E)-3-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

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ChEBI Name 3-[2-[(E,3E)-3-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
ChEBI ID CHEBI:149982
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H26N2O5S3
Net Charge 0
Average Mass 518.660
Monoisotopic Mass 518.10039
InChI InChI=1S/C24H26N2O5S3/c1-4-25-20-14-17(30-2)10-11-22(20)33-23(25)15-18(31-3)16-24-26(12-7-13-34(27,28)29)19-8-5-6-9-21(19)32-24/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3
InChIKey YGIKJGIQWDUYOD-UHFFFAOYSA-N
SMILES C(\C1=[N+](C=2C=CC=CC2S1)CCCS([O-])(=O)=O)=C(\C=C\3/N(C4=C(S3)C=CC(=C4)OC)CC)/OC
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via 3-[2-[(E,3E)-3-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate )
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ChEBI Ontology
Outgoing 3-[2-[(E,3E)-3-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate (CHEBI:149982) has role anticoronaviral agent (CHEBI:149553)
3-[2-[(E,3E)-3-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate (CHEBI:149982) is a benzothiazoles (CHEBI:37947)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL