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- ChemComp-FT3: 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: FT3
NameName: 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol

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Chemical information

Composition
Formula: C13H10Cl2O3 / Number of atoms: 28 / Formula weight: 285.123 / Formal charge: 0
Others

3lt2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FT3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LT2
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 3.352OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
OpenEye OEToolkits 1.7.0c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl

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SMILES CANONICAL

CACTVS 3.352OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
OpenEye OEToolkits 1.7.0c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl

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InChI

InChI 1.03InChI=1S/C13H10Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,16-17H,7H2

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InChIKey

InChI 1.03GILJPGZIIDINED-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.12-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol

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PDB entries

Showing all 1 items

PDB-3lt2:
Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T3

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