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- ChemComp-TN3: 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: TN3
NameName: 3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-methylbenzamide

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Chemical information

Composition
Formula: C14H11Cl2NO3 / Number of atoms: 31 / Formula weight: 312.148 / Formal charge: 0
Others

1zxb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TN3 / Model coordinates PDB-ID: 1ZXB
History
Create componentJun 15, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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

ACDLabs 10.04Clc2cc(ccc2Oc1ccc(Cl)cc1O)C(=O)NC
CACTVS 3.341CNC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
OpenEye OEToolkits 1.5.0CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl

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SMILES CANONICAL

CACTVS 3.341CNC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1
OpenEye OEToolkits 1.5.0CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl

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InChI

InChI 1.03InChI=1S/C14H11Cl2NO3/c1-17-14(19)8-2-4-12(10(16)6-8)20-13-5-3-9(15)7-11(13)18/h2-7,18H,1H3,(H,17,19)

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InChIKey

InChI 1.03IWVJLENCOIFPGH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-methylbenzamide
OpenEye OEToolkits 1.5.03-chloro-4-(4-chloro-2-hydroxy-phenoxy)-N-methyl-benzamide

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PDB entries

Showing all 1 items

PDB-1zxb:
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives

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