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- ChemComp-AUZ: bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) -

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Basic information

EntryDatabase: PDB chemical components / ID: AUZ
NameName: bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)

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Chemical information

Composition
Formula: C24H24Au2N4O2 / Number of atoms: 56 / Formula weight: 794.406 / Formal charge: 4
Others

5mvb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AUZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MVB
History
Create componentJan 16, 2017
Modify atom idFeb 7, 2017
Initial releaseMay 31, 2017
Other modificationSep 5, 2019
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 3.385Cc1cccc2c3cccc(C)[n+]3[Au]4(O[Au]5(O4)[n+]6c(C)cccc6c7cccc(C)[n+]57)[n+]12
OpenEye OEToolkits 2.0.6Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C

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SMILES CANONICAL

CACTVS 3.385Cc1cccc2c3cccc(C)[n+]3[Au]4(O[Au]5(O4)[n+]6c(C)cccc6c7cccc(C)[n+]57)[n+]12
OpenEye OEToolkits 2.0.6Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C

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InChI

InChI 1.03InChI=1S/2C12H12N2.2Au.2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;/h2*3-8H,1-2H3;;;;/q;;2*+2;;

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InChIKey

InChI 1.03GICNHPJNXLRXOX-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5mvb:
Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.

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