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2J0 : Summary
Code
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2J0
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One-letter code
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X
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Molecule name
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(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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Systematic names
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Formula
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C39 H24 N12 Ru
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Formal charge
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2
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Molecular weight
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761.758 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1cccc2c1nc3c(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 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1cccc2c1nc3c(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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IUPAC InChI | InChI=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 |
IUPAC InChI key | SUPGJTRQQWHNCH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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76 (52 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2013-10-24
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Last modified at
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2014-09-19
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Status
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Released
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Obsoleted
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Not Assigned
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