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- ChemComp-FT2: 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: FT2
NameName: 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol

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Chemical information

Composition
Formula: C13H9Cl3O2 / Number of atoms: 27 / Formula weight: 303.568 / Formal charge: 0
Others

3lt1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FT2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LT1
History
Create componentFeb 25, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / 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 3.352Oc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.7.0c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl

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SMILES CANONICAL

CACTVS 3.352Oc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.7.0c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl

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InChI

InChI 1.03InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2

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InChIKey

InChI 1.03XVCALTYAVXDHNO-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.15-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol

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PDB entries

Showing all 2 items

PDB-3lt1:
Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T2

PDB-4abv:
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-3

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