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- ChemComp-2J0: (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis... -

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Basic information

EntryDatabase: PDB chemical components / ID: 2J0
NameName: (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)

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Chemical information

Composition
Formula: C39H24N12Ru / Number of atoms: 76 / Formula weight: 761.758 / Formal charge: 2
Others

4mj9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2J0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MJ9
History
Create componentOct 24, 2013
Initial releaseSep 24, 2014
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

OpenEye OEToolkits 1.7.6Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81

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SMILES CANONICAL

OpenEye OEToolkits 1.7.6Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81

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InChI

InChI 1.03InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-5-2-8-14-15(11)23-19-13-7-4-10-21-17(13)16-12(18(19)22-14)6-3-9-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h2-10H,1H3;2*1-6H;/q;;;+2

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InChIKey

InChI 1.03SUPGJTRQQWHNCH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-4mj9:
lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer

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