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- ChemComp-HZT: ~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethy... -

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Basic information

EntryDatabase: PDB chemical components / ID: HZT
NameName: ~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

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Chemical information

Composition
Formula: C14H13FN4O2S2 / Number of atoms: 36 / Formula weight: 352.407 / Formal charge: 0
Others

6qej

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HZT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QEJ
History
Create componentJan 8, 2019
Initial releaseMay 1, 2019
External linksUniChem / ChemSpider / PubChem / PubChem_TPharma / 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 3.385Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1
OpenEye OEToolkits 2.0.6c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1
OpenEye OEToolkits 2.0.6c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3

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InChI

InChI 1.03InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)

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InChIKey

InChI 1.03UGVZRLMKBSBNEC-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6qej:
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR Thiophene-2-sulfonic acid (4-fluoro-benzyl)-(4H-[1,2,4]triazol-3-ylmethyl)-amide

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