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- ChemComp-M2U: ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: M2U
NameName: ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide

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Chemical information

Composition
Formula: C11H13N3O2S / Number of atoms: 30 / Formula weight: 251.305 / Formal charge: 0
Others

8ahe

Type: non-polymer / PDB classification: HETAIN / Three letter code: M2U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AHE
History
Create componentJul 21, 2022
Modify descriptorAug 22, 2022
Initial releaseSep 14, 2022
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

CACTVS 3.385CN[S](=O)(=O)c1cnn(c1C)c2ccccc2
OpenEye OEToolkits 2.0.7Cc1c(cnn1c2ccccc2)S(=O)(=O)NC

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SMILES CANONICAL

CACTVS 3.385CN[S](=O)(=O)c1cnn(c1C)c2ccccc2
OpenEye OEToolkits 2.0.7Cc1c(cnn1c2ccccc2)S(=O)(=O)NC

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InChI

InChI 1.06InChI=1S/C11H13N3O2S/c1-9-11(17(15,16)12-2)8-13-14(9)10-6-4-3-5-7-10/h3-8,12H,1-2H3

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InChIKey

InChI 1.06GGFXNMABROEKLJ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8ahe:
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery

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