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- ChemComp-KRY: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benz... -

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Basic information

EntryDatabase: PDB chemical components / ID: KRY
NameName: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide

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Chemical information

Composition
Formula: C15H11F2N3O3S / Number of atoms: 35 / Formula weight: 351.328 / Formal charge: 0
Others

6nlv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KRY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6NLV
History
Create componentJan 10, 2019
Initial releaseJan 15, 2020
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

ACDLabs 12.01Fc1cc(F)ccc1N2C(N(C=C2)c3ccc(S(=O)(=O)N)cc3)=O
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)N2C=CN(C2=O)c3ccc(F)cc3F
OpenEye OEToolkits 2.0.6c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)N2C=CN(C2=O)c3ccc(F)cc3F
OpenEye OEToolkits 2.0.6c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C15H11F2N3O3S/c16-10-1-6-14(13(17)9-10)20-8-7-19(15(20)21)11-2-4-12(5-3-11)24(18,22)23/h1-9H,(H2,18,22,23)

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InChIKey

InChI 1.03GEYINGHKGSVZTE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide
OpenEye OEToolkits 2.0.64-[3-[2,4-bis(fluoranyl)phenyl]-2-oxidanylidene-imidazol-1-yl]benzenesulfonamide

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PDB entries

Showing all 2 items

PDB-6nlv:
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines

PDB-6nm0:
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines

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