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- ChemComp-LPZ: 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone -

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Basic information

EntryDatabase: PDB chemical components / ID: LPZ
NameName: 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

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Chemical information

Composition
Formula: C14H21N2O2 / Number of atoms: 39 / Formula weight: 249.329 / Formal charge: 1
Others

6sou

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LPZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SOU
History
Create componentAug 30, 2019
Initial releaseOct 2, 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

CACTVS 3.385C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C

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SMILES CANONICAL

CACTVS 3.385C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C

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InChI

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

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InChIKey

InChI 1.03GIIIJZOPGUFGBF-UHFFFAOYSA-O

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PDB entries

Showing all 4 items

PDB-5re9:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434836

PDB-5rkh:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z31432917

PDB-6sou:
Fragment N13565a in complex with MAP kinase p38-alpha

PDB-9iff:
PANDDA analysis - Crystal structure of Trypanosoma brucei trypanothione reductase in complex with Z2856434836

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