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- ChemComp-7XW: N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesu... -

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Basic information

EntryDatabase: PDB chemical components / ID: 7XW
NameName: N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
Synonyms: N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide

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Chemical information

Composition
Formula: C17H18N2O4S / Number of atoms: 42 / Formula weight: 346.401 / Formal charge: 0
Others

7pot

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7XW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7POT
History
Create componentSep 13, 2021
Initial releaseSep 29, 2021
Modify descriptorAug 22, 2022
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 3.385COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3
OpenEye OEToolkits 2.0.7COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3

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SMILES CANONICAL

CACTVS 3.385COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3
OpenEye OEToolkits 2.0.7COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3

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InChI

InChI 1.06InChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3

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InChIKey

InChI 1.06OZEVUWLUKNYTLV-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7pot:
PI3 kinase delta in complex with N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide

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