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- ChemComp-S07: 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone -

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Basic information

EntryDatabase: PDB chemical components / ID: S07
NameName: 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone

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Chemical information

Composition
Formula: C14H19NO3 / Number of atoms: 37 / Formula weight: 249.306 / Formal charge: 0
Others

5r56

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S07 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R56
History
Create componentMar 3, 2020
Initial releaseJul 1, 2020
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

CACTVS 3.385Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2

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InChI

InChI 1.03InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3

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InChIKey

InChI 1.03SPKPARPPRVMDOW-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-5r56:
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13688a

PDB-5rwg:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z17497990

PDB-7h4e:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z17497990 (A71EV2A-x0739)

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