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- ChemComp-6F3: N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfo... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6F3
NameName: N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide

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Chemical information

Composition
Formula: C14H12N2O4S / Number of atoms: 33 / Formula weight: 304.321 / Formal charge: 0
Others

5b5f

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6F3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5B5F
History
Create componentMay 11, 2016
Modify nameMay 12, 2016
Initial releaseMar 1, 2017
External linksUniChem / ChemSpider / 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

CACTVS 3.385CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 2.0.4CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O

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SMILES CANONICAL

CACTVS 3.385CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 2.0.4CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O

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InChI

InChI 1.03InChI=1S/C14H12N2O4S/c1-15-21(18,19)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8,15H,1H3,(H,16,17)

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InChIKey

InChI 1.03QWCULBJLWKNECO-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.4~{N}-methyl-3-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzenesulfonamide

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PDB entries

Showing all 1 items

PDB-5b5f:
Crystal structure of ALiS3-Streptavidin complex

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