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- ChemComp-JYZ: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phe... -

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Basic information

EntryDatabase: PDB chemical components / ID: JYZ
NameName: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide

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Chemical information

Composition
Formula: C17H14N2O4 / Number of atoms: 37 / Formula weight: 310.304 / Formal charge: 0
Others

6rcb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JYZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RCB
History
Create componentApr 11, 2019
Initial releaseApr 8, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O

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SMILES CANONICAL

CACTVS 3.385COc1cc(ccc1O)\C=C(/C#N)C(=O)Nc2ccccc2O
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O

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InChI

InChI 1.03InChI=1S/C17H14N2O4/c1-23-16-9-11(6-7-15(16)21)8-12(10-18)17(22)19-13-4-2-3-5-14(13)20/h2-9,20-21H,1H3,(H,19,22)/b12-8+

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InChIKey

InChI 1.03UJFGQFJVAPMCHZ-XYOKQWHBSA-N

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PDB entries

Showing all 1 items

PDB-6rcb:
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14

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