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- ChemComp-PYQ: PYROQUILON -

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Basic information

EntryDatabase: PDB chemical components / ID: PYQ
NameName: pyroquilon
Synonyms: 1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE

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Chemical information

Composition
Formula: C11H11NO / Number of atoms: 24 / Formula weight: 173.211 / Formal charge: 0
Others

1ja9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PYQ / Model coordinates PDB-ID: 1JA9
History
Create componentOct 25, 2000
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
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 10.04O=C3N2c1c(cccc1CC2)CC3
CACTVS 3.341O=C1CCc2cccc3CCN1c23
OpenEye OEToolkits 1.5.0c1cc2c3c(c1)CCN3C(=O)CC2

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SMILES CANONICAL

CACTVS 3.341O=C1CCc2cccc3CCN1c23
OpenEye OEToolkits 1.5.0c1cc2c3c(c1)CCN3C(=O)CC2

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InChI

InChI 1.03InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2

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InChIKey

InChI 1.03XRJLAOUDSILTFT-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-1g0o:
STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND PYROQUILON

PDB-1ja9:
Crystal structure of 1,3,6,8-tetrahydroxynaphthalene reductase in complex with NADPH and pyroquilon

PDB-7hjv:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000173360

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