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- ChemComp-ZV2: 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: ZV2
NameName: 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

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Chemical information

Composition
Formula: C11H11FN3OS / Number of atoms: 28 / Formula weight: 252.288 / Formal charge: 0
Others

7g9u

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZV2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G9U
History
Create componentJul 5, 2023
Initial releaseJul 26, 2023
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 3.385Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F

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SMILES CANONICAL

CACTVS 3.385Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F

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InChI

InChI 1.06InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)

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InChIKey

InChI 1.06DBANAUMFACXVKZ-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-7g9u:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z55222357

PDB-8qds:
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-(4-fluorophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide

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