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- ChemComp-6QN: ~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-c... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6QN
NameName: ~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide

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Chemical information

Composition
Formula: C11H11N3O3 / Number of atoms: 28 / Formula weight: 233.223 / Formal charge: 0
Others

5k4l

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6QN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5K4L
History
Create componentMay 24, 2016
Other modificationJun 2, 2016
Initial releaseAug 10, 2016
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 3.385CCNC(=O)C1=C(O)c2ccncc2NC1=O
OpenEye OEToolkits 2.0.5CCNC(=O)C1=C(c2ccncc2NC1=O)O

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SMILES CANONICAL

CACTVS 3.385CCNC(=O)C1=C(O)c2ccncc2NC1=O
OpenEye OEToolkits 2.0.5CCNC(=O)C1=C(c2ccncc2NC1=O)O

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InChI

InChI 1.03InChI=1S/C11H11N3O3/c1-2-13-10(16)8-9(15)6-3-4-12-5-7(6)14-11(8)17/h3-5H,2H2,1H3,(H,13,16)(H2,14,15,17)

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InChIKey

InChI 1.03RTMUDFJHLBNEDM-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.5~{N}-ethyl-4-oxidanyl-2-oxidanylidene-1~{H}-1,7-naphthyridine-3-carboxamide

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PDB entries

Showing all 1 items

PDB-5k4l:
Crystal structure of KDM5A in complex with a naphthyridone inhibitor

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