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- ChemComp-73F: 1-(2-phenylethyl)indole-2,3-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: 73F
NameName: 1-(2-phenylethyl)indole-2,3-dione

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Chemical information

Composition
Formula: C16H13NO2 / Number of atoms: 32 / Formula weight: 251.28 / Formal charge: 0
Others

5gq5
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 73F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5GQ5
History
Create componentAug 19, 2016
Initial releaseAug 29, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / SureChEMBL / 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=C1N(CCc2ccccc2)c3ccccc3C1=O
OpenEye OEToolkits 2.0.5c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O

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SMILES CANONICAL

CACTVS 3.385O=C1N(CCc2ccccc2)c3ccccc3C1=O
OpenEye OEToolkits 2.0.5c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O

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InChI

InChI 1.03InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2

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InChIKey

InChI 1.03XICVNIWRISOITG-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.51-(2-phenylethyl)indole-2,3-dione

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PDB entries

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PDB-6afh:
DJ-1 with compound 10

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