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- ChemComp-EE8: ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: EE8
NameName: ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide

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Chemical information

Composition
Formula: C10H12ClNO2 / Number of atoms: 26 / Formula weight: 213.661 / Formal charge: 0
Others

6fzu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EE8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FZU
History
Create componentMar 15, 2018
Initial releaseJul 18, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 3.385CCOc1ccc(NC(C)=O)cc1Cl
OpenEye OEToolkits 2.0.6CCOc1ccc(cc1Cl)NC(=O)C

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SMILES CANONICAL

CACTVS 3.385CCOc1ccc(NC(C)=O)cc1Cl
OpenEye OEToolkits 2.0.6CCOc1ccc(cc1Cl)NC(=O)C

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InChI

InChI 1.03InChI=1S/C10H12ClNO2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13)

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InChIKey

InChI 1.03ORFOTXJLULZKSJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide

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PDB entries

Showing all 1 items

PDB-6fzu:
RORGT (264-518;C455S) IN COMPLEX WITH THE FRAGMENT ("CPD-1") AND RIP140 PEPTIDE AT 1.80A

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