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- ChemComp-NU4: 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NU4
NameName: 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide

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Chemical information

Composition
Formula: C11H10N2O2 / Number of atoms: 25 / Formula weight: 202.209 / Formal charge: 0
Others

5qqw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NU4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QQW
History
Create componentMay 28, 2019
Initial releaseAug 7, 2019
External linksUniChem / ChemSpider / 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(c1ccncc1)C(c2ccoc2C)=O
CACTVS 3.385Cc1occc1C(=O)Nc2ccncc2
OpenEye OEToolkits 2.0.6Cc1c(cco1)C(=O)Nc2ccncc2

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SMILES CANONICAL

CACTVS 3.385Cc1occc1C(=O)Nc2ccncc2
OpenEye OEToolkits 2.0.6Cc1c(cco1)C(=O)Nc2ccncc2

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InChI

InChI 1.03InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14)

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InChIKey

InChI 1.03YQBDLYFUZJNLDH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-methyl-N-(pyridin-4-yl)furan-3-carboxamide
OpenEye OEToolkits 2.0.62-methyl-~{N}-pyridin-4-yl-furan-3-carboxamide

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PDB entries

Showing all 6 items

PDB-5qqw:
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z136583524

PDB-5qsr:
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z136583524

PDB-5r5s:
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13775a

PDB-5rwm:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z136583524

PDB-5ryo:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z136583524

PDB-5sdg:
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z136583524

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