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- ChemComp-HKK: ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]me... -

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Basic information

EntryDatabase: PDB chemical components / ID: HKK
NameName: ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide

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Chemical information

Composition
Formula: C11H13ClN2O3S / Number of atoms: 31 / Formula weight: 288.751 / Formal charge: 0
Others

6q73

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HKK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q73
History
Create componentDec 12, 2018
Initial releaseDec 26, 2018
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 3.385C[S](=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2
OpenEye OEToolkits 2.0.6CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2

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SMILES CANONICAL

CACTVS 3.385C[S](=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2
OpenEye OEToolkits 2.0.6CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2

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InChI

InChI 1.03InChI=1S/C11H13ClN2O3S/c1-18(15,16)14-10-6-9(7-13-11(10)12)8-2-4-17-5-3-8/h2,6-7,14H,3-5H2,1H3

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InChIKey

InChI 1.03PGVPPOVJVOILFT-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide

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PDB entries

Showing all 1 items

PDB-6q73:
PI3K delta in complex with N[2chloro5(3,6dihydro2Hpyran4yl)pyridin3yl]methanesulfonamide

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