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- ChemComp-QOY: 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-... -

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Basic information

EntryDatabase: PDB chemical components / ID: QOY
NameName: 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide

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Chemical information

Composition
Formula: C13H11ClN4O3S / Number of atoms: 33 / Formula weight: 338.769 / Formal charge: 0
Others

6v5h
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: QOY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6V5H
History
Create componentDec 5, 2019
Initial releaseDec 8, 2021
External linksUniChem / ChemSpider / Brenda / 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

ACDLabs 12.01n21cccc(c1ncn2)NS(=O)(c3c(OC)ccc(Cl)c3)=O
CACTVS 3.385COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23
OpenEye OEToolkits 2.0.7COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl

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SMILES CANONICAL

CACTVS 3.385COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23
OpenEye OEToolkits 2.0.7COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl

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InChI

InChI 1.03InChI=1S/C13H11ClN4O3S/c1-21-11-5-4-9(14)7-12(11)22(19,20)17-10-3-2-6-18-13(10)15-8-16-18/h2-8,17H,1H3

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InChIKey

InChI 1.03VLSIKQJXWTXQPQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
OpenEye OEToolkits 2.0.75-chloranyl-2-methoxy-~{N}-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide

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PDB entries

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PDB-7knw:
Crystal structure of SND1 in complex with C-26-A2

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