CHEBI:149989 - (2E)-5-(1,3-Benzothiazol-2-yl)-2-[(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride

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ChEBI Name (2E)-5-(1,3-Benzothiazol-2-yl)-2-[(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride
ChEBI ID CHEBI:149989
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C35H27N4S4.Cl
Net Charge 0
Average Mass 667.320
Monoisotopic Mass 666.08071
InChI InChI=1S/C35H27N4S4.ClH/c1-3-38-26-20-22(34-36-24-10-5-7-12-28(24)42-34)16-18-30(26)40-32(38)14-9-15-33-39(4-2)27-21-23(17-19-31(27)41-33)35-37-25-11-6-8-13-29(25)43-35;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey DVORXDHTUKEABE-UHFFFAOYSA-M
SMILES [Cl-].[N+]1(=C(SC2=C1C=C(C3=NC4=CC=CC=C4S3)C=C2)/C=C/C=C/5\N(C=6C=C(C7=NC=8C=CC=CC8S7)C=CC6S5)CC)CC
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via (2E)-5-(1,3-Benzothiazol-2-yl)-2-[(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride )
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ChEBI Ontology
Outgoing (2E)-5-(1,3-Benzothiazol-2-yl)-2-[(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride (CHEBI:149989) has role anticoronaviral agent (CHEBI:149553)
(2E)-5-(1,3-Benzothiazol-2-yl)-2-[(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride (CHEBI:149989) is a benzothiazoles (CHEBI:37947)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL