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- ChemComp-TEH: 4-(2-phenoxyethanoyl)piperazin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: TEH
NameName: 4-(2-phenoxyethanoyl)piperazin-2-one

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Chemical information

Composition
Formula: C12H14N2O3 / Number of atoms: 31 / Formula weight: 234.251 / Formal charge: 0
Others

7bdf

Type: non-polymer / PDB classification: HETAIN / Three letter code: TEH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BDF
History
Create componentDec 21, 2020
Initial releaseJan 12, 2022
External linksUniChem / ChemSpider / ChEMBL / 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

CACTVS 3.385O=C1CN(CCN1)C(=O)COc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)OCC(=O)N2CCNC(=O)C2

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SMILES CANONICAL

CACTVS 3.385O=C1CN(CCN1)C(=O)COc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)OCC(=O)N2CCNC(=O)C2

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InChI

InChI 1.03InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)

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InChIKey

InChI 1.03VQOCCTAPSDVOOO-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-7bdf:
Notum Fragment 927

PDB-7h2t:
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 Z31602870 (A71EV2A-x0152)

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