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- ChemComp-PT7: chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~... -

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Basic information

EntryDatabase: PDB chemical components / ID: PT7
NameName: chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+)
Synonyms: PtII(2-phenylpyridine)(tri-phenylphosphine)Cl

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Chemical information

Composition
Formula: C29H23ClNPPt / Number of atoms: 56 / Formula weight: 647.004 / Formal charge: 2
Others

6e2b

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PT7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6E2B
History
Create componentJul 18, 2018
Initial releaseNov 14, 2018
Modify synonymsMar 1, 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 12.01[Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4ccccc4)(c5ccccc5)c6ccccc6
CACTVS 3.385Cl[Pt++]c1ccccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5ccccc5
OpenEye OEToolkits 2.0.6c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl

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SMILES CANONICAL

CACTVS 3.385Cl[Pt++]c1ccccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5ccccc5
OpenEye OEToolkits 2.0.6c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl

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InChI

InChI 1.03InChI=1S/C18H15P.C11H8N.ClH.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-15H;1-6,8-9H;1H;/q;;;+2

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InChIKey

InChI 1.03KHJLZDWNJSEPIZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6e2b:
Ubiquitin in complex with Pt(2-phenilpyridine)(PPh3)

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