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- ChemComp-U3U: 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: U3U
NameName: 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

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Chemical information

Composition
Formula: C7H7BrN2O4 / Number of atoms: 21 / Formula weight: 263.045 / Formal charge: 0
Others

8djv

Type: non-polymer / PDB classification: HETAIN / Three letter code: U3U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8DJV
History
Create componentAug 3, 2022
Initial releaseDec 21, 2022
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

ACDLabs 12.01OC1=C(NC(Br)=CC1=O)C(=O)NOC
CACTVS 3.385CONC(=O)C1=C(O)C(=O)C=C(Br)N1
OpenEye OEToolkits 2.0.7CONC(=O)C1=C(C(=O)C=C(N1)Br)O

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SMILES CANONICAL

CACTVS 3.385CONC(=O)C1=C(O)C(=O)C=C(Br)N1
OpenEye OEToolkits 2.0.7CONC(=O)C1=C(C(=O)C=C(N1)Br)O

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InChI

InChI 1.06InChI=1S/C7H7BrN2O4/c1-14-10-7(13)5-6(12)3(11)2-4(8)9-5/h2,12H,1H3,(H,9,11)(H,10,13)

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InChIKey

InChI 1.06XEEQPDARENFLGY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
OpenEye OEToolkits 2.0.76-bromanyl-~{N}-methoxy-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxamide

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PDB entries

Showing all 1 items

PDB-8djv:
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

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