CHEBI:149898 - [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate

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ChEBI Name [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate
ChEBI ID CHEBI:149898
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H28ClN3O10
Net Charge 0
Average Mass 638.030
Monoisotopic Mass 637.14632
InChI InChI=1S/C31H28ClN3O10/c1-16(36)41-15-26-27(42-17(2)37)28(43-18(3)38)29(44-19(4)39)31(45-26)35-25(24-7-5-6-12-34-24)13-22(23(14-33)30(35)40)20-8-10-21(32)11-9-20/h5-13,26-29,31H,15H2,1-4H3/t26-,27-,28+,29-,31-/m1/s1
InChIKey LFPHQWJKQSFZFF-PAVKSNICSA-N
SMILES C(C1=C(C=C(N(C1=O)[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O2)COC(C)=O)C=3C=CC=CN3)C=4C=CC(=CC4)Cl)#N
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
(via [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate )
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ChEBI Ontology
Outgoing [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate (CHEBI:149898) has functional parent tetracarboxylic acid (CHEBI:35742)
[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate (CHEBI:149898) has role anticoronaviral agent (CHEBI:149553)
[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate (CHEBI:149898) is a organooxygen compound (CHEBI:36963)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL