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- ChemComp-NT7: N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NT7
NameName: N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide

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Chemical information

Composition
Formula: C14H20N2O2 / Number of atoms: 38 / Formula weight: 248.321 / Formal charge: 0
Others

5qqt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NT7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QQT
History
Create componentMay 28, 2019
Initial releaseAug 7, 2019
External linksUniChem / ChemSpider / 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(=O)CN1CCOCC1)c2cccc(c2C)C
CACTVS 3.385Cc1cccc(NC(=O)CN2CCOCC2)c1C
OpenEye OEToolkits 2.0.6Cc1cccc(c1C)NC(=O)CN2CCOCC2

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SMILES CANONICAL

CACTVS 3.385Cc1cccc(NC(=O)CN2CCOCC2)c1C
OpenEye OEToolkits 2.0.6Cc1cccc(c1C)NC(=O)CN2CCOCC2

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InChI

InChI 1.03InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)

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InChIKey

InChI 1.03PPTFUQPLPCCALB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
OpenEye OEToolkits 2.0.6~{N}-(2,3-dimethylphenyl)-2-morpholin-4-yl-ethanamide

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PDB entries

Showing all 3 items

PDB-5qqt:
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434834

PDB-5r66:
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with FMOPL000198a

PDB-5sdf:
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434834

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