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- ChemComp-VW7: N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: VW7
NameName: N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide

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Chemical information

Composition
Formula: C12H16N2O / Number of atoms: 31 / Formula weight: 204.268 / Formal charge: 0
Others

5rlm

Type: non-polymer / PDB classification: HETAIN / Three letter code: VW7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RLM
History
Create componentSep 17, 2020
Initial releaseSep 30, 2020
External linksUniChem / ChemSpider / 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 12.01N(c2ccc(C)c1NCCCc12)C(C)=O
CACTVS 3.385CC(=O)Nc1ccc(C)c2NCCCc12
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1NCCC2)NC(=O)C

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SMILES CANONICAL

CACTVS 3.385CC(=O)Nc1ccc(C)c2NCCCc12
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1NCCC2)NC(=O)C

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InChI

InChI 1.03InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)

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InChIKey

InChI 1.03RYRDUZSMONMBBE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
OpenEye OEToolkits 2.0.7~{N}-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)ethanamide

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PDB entries

Showing all 3 items

PDB-5rlm:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1650168321

PDB-7fsp:
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1650168321

PDB-7g93:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1565771450

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