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- ChemComp-7VT: 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]p... -

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Basic information

EntryDatabase: PDB chemical components / ID: 7VT
NameName: 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
Synonyms: 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide

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Chemical information

Composition
Formula: C17H19N3O4S / Number of atoms: 44 / Formula weight: 361.415 / Formal charge: 0
Others

7pop

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7VT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7POP
History
Create componentSep 9, 2021
Initial releaseSep 29, 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

CACTVS 3.385COc1ncc(cc1[S](=O)(=O)Nc2ccnc(C)c2)C3=CCOCC3
OpenEye OEToolkits 2.0.7Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3

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SMILES CANONICAL

CACTVS 3.385COc1ncc(cc1[S](=O)(=O)Nc2ccnc(C)c2)C3=CCOCC3
OpenEye OEToolkits 2.0.7Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3

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InChI

InChI 1.03InChI=1S/C17H19N3O4S/c1-12-9-15(3-6-18-12)20-25(21,22)16-10-14(11-19-17(16)23-2)13-4-7-24-8-5-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20)

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InChIKey

InChI 1.03MQQOMKBMLHBDFG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7pop:
PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide

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