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- ChemComp-CVG: 6-methylpyridazin-3-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: CVG
NameName: 6-methylpyridazin-3-ol

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Chemical information

Composition
Formula: C5H6N2O / Number of atoms: 14 / Formula weight: 110.114 / Formal charge: 0
Others

6b6k

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CVG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6B6K
History
Create componentOct 5, 2017
Initial releaseOct 10, 2018
External linksUniChem / ChemSpider / ChEBI / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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

ACDLabs 12.01c1cc(O)nnc1C
CACTVS 3.385Cc1ccc(O)nn1
OpenEye OEToolkits 2.0.6Cc1ccc(nn1)O

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(O)nn1
OpenEye OEToolkits 2.0.6Cc1ccc(nn1)O

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InChI

InChI 1.03InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)

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InChIKey

InChI 1.03QZWIXLPWMGHDDD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-methylpyridazin-3-ol
OpenEye OEToolkits 2.0.66-methylpyridazin-3-ol

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PDB entries

Showing all 1 items

PDB-6b6k:
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 6-methyl-2,3-dihydropyridazin-3-one

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