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- ChemComp-8OB: 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol -

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Basic information

EntryDatabase: PDB chemical components / ID: 8OB
NameName: 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol

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Chemical information

Composition
Formula: C11H7Cl2NO2 / Number of atoms: 23 / Formula weight: 256.085 / Formal charge: 0
Others

5n5t

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8OB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N5T
History
Create componentFeb 14, 2017
Initial releaseJul 19, 2017
External linksUniChem / ChemSpider / ChEMBL / CompTox / Nikkaji / PubChem / SureChEMBL / ZINC / 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 3.385Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl

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InChI

InChI 1.03InChI=1S/C11H7Cl2NO2/c12-7-5-10(13)11(14-6-7)16-9-3-1-8(15)2-4-9/h1-6,15H

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InChIKey

InChI 1.03NWFAJOGQUGZVOS-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.64-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol

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PDB entries

Showing all 1 items

PDB-5n5t:
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2

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