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- ChemComp-WHM: 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione -

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Basic information

EntryDatabase: PDB chemical components / ID: WHM
NameName: 2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

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Chemical information

Composition
Formula: C10H12FNO2S / Number of atoms: 27 / Formula weight: 229.271 / Formal charge: 0
Others

5rza

Type: non-polymer / PDB classification: HETAIN / Three letter code: WHM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RZA
History
Create componentOct 30, 2020
Initial releaseNov 11, 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 12.01c2(CN1CCCS1(=O)=O)cccc(c2)F
CACTVS 3.385Fc1cccc(CN2CCC[S]2(=O)=O)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)CN2CCCS2(=O)=O

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SMILES CANONICAL

CACTVS 3.385Fc1cccc(CN2CCC[S]2(=O)=O)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)CN2CCCS2(=O)=O

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InChI

InChI 1.03InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2

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InChIKey

InChI 1.03RVDJKNWVTKGWCE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
OpenEye OEToolkits 2.0.72-[(3-fluorophenyl)methyl]-1,2-thiazolidine 1,1-dioxide

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PDB entries

Showing all 3 items

PDB-5rza:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z729352906

PDB-7i2d:
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 Z729352906 (DNV2_NS5A-x0258)

PDB-9hfc:
Crystal structure of human TRF1 TRFH domain in complex with compound 8

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