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- ChemComp-7MU: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 7MU
NameName: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide

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Chemical information

Composition
Formula: C7H7ClN2O / Number of atoms: 18 / Formula weight: 170.596 / Formal charge: 0
Others

5mgl

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7MU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MGL
History
Create componentNov 21, 2016
Initial releaseApr 12, 2017
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 3.385CNC(=O)c1cc(Cl)ccn1
OpenEye OEToolkits 2.0.6CNC(=O)c1cc(ccn1)Cl

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SMILES CANONICAL

CACTVS 3.385CNC(=O)c1cc(Cl)ccn1
OpenEye OEToolkits 2.0.6CNC(=O)c1cc(ccn1)Cl

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InChI

InChI 1.03InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)

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InChIKey

InChI 1.03BGVBBMZMEKXUTR-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.64-chloranyl-~{N}-methyl-pyridine-2-carboxamide

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PDB entries

Showing all 4 items

PDB-5mgg:
Crystal Structure of BAZ2B bromodomain in complex with 4-chloropyridine derivative 3

PDB-5mgl:
Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3

PDB-5qed:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000538a

PDB-5r5q:
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13920a

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