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- ChemComp-MKN: 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole -

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Basic information

EntryDatabase: PDB chemical components / ID: MKN
NameName: 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole

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Chemical information

Composition
Formula: C11H8N2S2 / Number of atoms: 23 / Formula weight: 232.325 / Formal charge: 0
Others

6t5r

Type: non-polymer / PDB classification: HETAIN / Three letter code: MKN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6T5R
History
Create componentOct 17, 2019
Initial releaseAug 19, 2020
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

CACTVS 3.385[nH]1ccc(n1)c2sc(cc2)c3sccc3
OpenEye OEToolkits 2.0.7c1cc(sc1)c2ccc(s2)c3cc[nH]n3

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SMILES CANONICAL

CACTVS 3.385[nH]1ccc(n1)c2sc(cc2)c3sccc3
OpenEye OEToolkits 2.0.7c1cc(sc1)c2ccc(s2)c3cc[nH]n3

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InChI

InChI 1.03InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)

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InChIKey

InChI 1.03JTXMBJSVNQHHPW-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6t5r:
3C-like protease from Southampton virus complexed with FMOPL000091a.

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