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- ChemComp-UWS: 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one -

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Basic information

EntryDatabase: PDB chemical components / ID: UWS
NameName: 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one

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Chemical information

Composition
Formula: C10H11N3O2 / Number of atoms: 26 / Formula weight: 205.213 / Formal charge: 0
Others

5rkp

Type: non-polymer / PDB classification: HETAIN / Three letter code: UWS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RKP
History
Create componentJun 3, 2020
Initial releaseJun 17, 2020
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

ACDLabs 12.01N=2N(Cc1cc(C)no1)C(C=CC=2C)=O
CACTVS 3.385CC1=NN(Cc2onc(C)c2)C(=O)C=C1
OpenEye OEToolkits 2.0.7Cc1cc(on1)CN2C(=O)C=CC(=N2)C

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SMILES CANONICAL

CACTVS 3.385CC1=NN(Cc2onc(C)c2)C(=O)C=C1
OpenEye OEToolkits 2.0.7Cc1cc(on1)CN2C(=O)C=CC(=N2)C

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InChI

InChI 1.03InChI=1S/C10H11N3O2/c1-7-3-4-10(14)13(11-7)6-9-5-8(2)12-15-9/h3-5H,6H2,1-2H3

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InChIKey

InChI 1.03PLCLGFAKZPXQFY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one
OpenEye OEToolkits 2.0.76-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3-one

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PDB entries

Showing all 6 items

PDB-5rkp:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1079512010

PDB-7g82:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010

PDB-7h6n:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079512010 (CHIKV_MacB-x0295)

PDB-7hg1:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1079512010

PDB-7hlc:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1079512010

PDB-7i2g:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1079512010 (DNV2_NS5A-x0379)

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