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- ChemComp-SWT: 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one -

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Basic information

EntryDatabase: PDB chemical components / ID: SWT
NameName: 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

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Chemical information

Composition
Formula: C12H10N4OS / Number of atoms: 28 / Formula weight: 258.299 / Formal charge: 0
Others

7b4x

Type: non-polymer / PDB classification: HETAIN / Three letter code: SWT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B4X
History
Create componentDec 2, 2020
Initial releaseJan 12, 2022
External linksUniChem / ChemSpider / ChEMBL / 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 3.385Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2

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InChI

InChI 1.03InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)

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InChIKey

InChI 1.03SVJSYMYGSKESLF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7b4x:
Notum complex with ARUK3002697

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