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- ChemComp-QA9: 1-(4-aminophenyl)sulfonylguanidine -

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Basic information

EntryDatabase: PDB chemical components / ID: QA9
NameName: 1-(4-aminophenyl)sulfonylguanidine

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Chemical information

Composition
Formula: C7H10N4O2S / Number of atoms: 24 / Formula weight: 214.245 / Formal charge: 0
Others

8bch

Type: non-polymer / PDB classification: HETAIN / Three letter code: QA9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BCH
History
Create componentOct 17, 2022
Initial releaseMar 8, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 3.385NC(=N)N[S](=O)(=O)c1ccc(N)cc1
OpenEye OEToolkits 3.1.0.0c1cc(ccc1N)S(=O)(=O)NC(=N)N

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SMILES CANONICAL

CACTVS 3.385NC(=N)N[S](=O)(=O)c1ccc(N)cc1
OpenEye OEToolkits 3.1.0.0[H]/N=C(/N)\NS(=O)(=O)c1ccc(cc1)N

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InChI

InChI 1.06InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)

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InChIKey

InChI 1.06BRBKOPJOKNSWSG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8bch:
Human Brr2 Helicase Region in complex with Sulfaguanidine

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