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- ChemComp-UZW: ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]be... -

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Basic information

EntryDatabase: PDB chemical components / ID: UZW
NameName: ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide

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Chemical information

Composition
Formula: C13H11N5O2S / Number of atoms: 32 / Formula weight: 301.324 / Formal charge: 0
Others

7o2p

Type: non-polymer / PDB classification: HETAIN / Three letter code: UZW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O2P
History
Create componentMar 31, 2021
Initial releaseOct 27, 2021
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / 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 3.385ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1
OpenEye OEToolkits 2.0.7c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO

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SMILES CANONICAL

CACTVS 3.385ONC(=O)c1ccc(Cn2nnnc2c3sccc3)cc1
OpenEye OEToolkits 2.0.7c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO

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InChI

InChI 1.03InChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19)

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InChIKey

InChI 1.03UFUGFWWXDWPEQE-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7o2p:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3756

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