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- ChemComp-9KS: N-(2-hydroxyphenyl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 9KS
NameName: N-(2-hydroxyphenyl)acetamide

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Chemical information

Composition
Formula: C8H9NO2 / Number of atoms: 20 / Formula weight: 151.163 / Formal charge: 0
Others

5q1j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9KS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5Q1J
History
Create componentMay 19, 2017
Initial releaseAug 8, 2018
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / Metabolights / NMRShiftDB / Nikkaji / 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

ACDLabs 12.01N(C(C)=O)c1ccccc1O
CACTVS 3.385CC(=O)Nc1ccccc1O
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccccc1O

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SMILES CANONICAL

CACTVS 3.385CC(=O)Nc1ccccc1O
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccccc1O

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InChI

InChI 1.03InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)

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InChIKey

InChI 1.03ADVGKWPZRIDURE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(2-hydroxyphenyl)acetamide
OpenEye OEToolkits 2.0.6~{N}-(2-hydroxyphenyl)ethanamide

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PDB entries

Showing all 6 items

PDB-5q1j:
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMSOA000341b

PDB-5qhu:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMSOA000341b

PDB-5rzf:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57040482

PDB-5s4v:
Tubulin-Z57040482-complex

PDB-5sbn:
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z57040482

PDB-9f4z:
UP1 in complex with Z57040482

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