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- ChemComp-VZM: N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea -

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Basic information

EntryDatabase: PDB chemical components / ID: VZM
NameName: N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea

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Chemical information

Composition
Formula: C11H11N3O2S / Number of atoms: 28 / Formula weight: 249.289 / Formal charge: 0
Others

5rq1
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: VZM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RQ1
History
Create componentSep 24, 2020
Initial releaseNov 11, 2020
External linksUniChem / ChemSpider / ChEMBL / 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

ACDLabs 12.01N(c1cccs1)C(=O)Nc2cnc(cc2)OC
CACTVS 3.385COc1ccc(NC(=O)Nc2sccc2)cn1
OpenEye OEToolkits 2.0.7COc1ccc(cn1)NC(=O)Nc2cccs2

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SMILES CANONICAL

CACTVS 3.385COc1ccc(NC(=O)Nc2sccc2)cn1
OpenEye OEToolkits 2.0.7COc1ccc(cn1)NC(=O)Nc2cccs2

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InChI

InChI 1.03InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)

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InChIKey

InChI 1.03QQTNSKDCQAMODS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
OpenEye OEToolkits 2.0.71-(6-methoxypyridin-3-yl)-3-thiophen-2-yl-urea

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PDB entries

Showing all 3 items

PDB-5rwh:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1152242726

PDB-5s2e:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1152242726

PDB-9hql:
UP1 in complex with Z1152242726

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