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- ChemComp-YUS: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acet... -

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Basic information

EntryDatabase: PDB chemical components / ID: YUS
NameName: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

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Chemical information

Composition
Formula: C21H20N2O3 / Number of atoms: 46 / Formula weight: 348.395 / Formal charge: 0
Others

7mbv

Type: non-polymer / PDB classification: HETAIN / Three letter code: YUS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7MBV
History
Create componentApr 1, 2021
Initial releaseJul 7, 2021
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

ACDLabs 12.01COc1cc(ccc1OC)\C=N\NC(=O)Cc1cccc2ccccc21
CACTVS 3.385COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1OC
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)C=NNC(=O)Cc2cccc3c2cccc3

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SMILES CANONICAL

CACTVS 3.385COc1ccc(\C=N\NC(=O)Cc2cccc3ccccc23)cc1OC
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3

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InChI

InChI 1.03InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+

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InChIKey

InChI 1.03MMJUJYOIYOJEPL-HYARGMPZSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
OpenEye OEToolkits 2.0.7~{N}-[(~{E})-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-yl-ethanamide

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PDB entries

Showing all 1 items

PDB-7mbv:
Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA

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