CHEBI:149995 - (2E)-3-Ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride

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ChEBI Name (2E)-3-Ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride
ChEBI ID CHEBI:149995
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H35N2S2.Cl
Net Charge 0
Average Mass 559.230
Monoisotopic Mass 558.19302
InChI InChI=1S/C33H35N2S2.ClH/c1-6-25(22-33-35(8-3)29-18-23(4)24(5)19-30(29)36-33)21-32-34(7-2)28-17-16-27(20-31(28)37-32)15-14-26-12-10-9-11-13-26;/h9-22H,6-8H2,1-5H3;1H/q+1;/p-1/b15-14+;
InChIKey AMVJFNIDTMSNHR-WPDLWGESSA-M
SMILES [Cl-].[N+]1(=C(SC2=C1C=C(C(C)=C2)C)/C=C(/C=C/3\N(C=4C=CC(/C=C/C5=CC=CC=C5)=CC4S3)CC)\CC)CC
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via (2E)-3-Ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride )
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ChEBI Ontology
Outgoing (2E)-3-Ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride (CHEBI:149995) has role anticoronaviral agent (CHEBI:149553)
(2E)-3-Ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride (CHEBI:149995) is a stilbenoid (CHEBI:26776)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL