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- ChemComp-GE9: 2,3,5-tris(iodanyl)benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: GE9
NameName: 2,3,5-tris(iodanyl)benzamide

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Chemical information

Composition
Formula: C7H4I3NO / Number of atoms: 16 / Formula weight: 498.826 / Formal charge: 0
Others

7qur

Type: non-polymer / PDB classification: HETAIN / Three letter code: GE9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QUR
History
Create componentJan 31, 2022
Initial releaseJun 1, 2022
Modify descriptorAug 22, 2022
External linksUniChem / ChemSpider / 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 3.385NC(=O)c1cc(I)cc(I)c1I
OpenEye OEToolkits 2.0.7c1c(cc(c(c1C(=O)N)I)I)I

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SMILES CANONICAL

CACTVS 3.385NC(=O)c1cc(I)cc(I)c1I
OpenEye OEToolkits 2.0.7c1c(cc(c(c1C(=O)N)I)I)I

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InChI

InChI 1.06InChI=1S/C7H4I3NO/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H2,11,12)

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InChIKey

InChI 1.06OVJSATAEGZSMIJ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7qur:
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry

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