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- ChemComp-EW0: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfony... -

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Basic information

EntryDatabase: PDB chemical components / ID: EW0
NameName: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide

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Chemical information

Composition
Formula: C24H22ClN3O5S / Number of atoms: 56 / Formula weight: 499.967 / Formal charge: 0
Others

6lw2

Type: non-polymer / PDB classification: HETAIN / Three letter code: EW0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LW2
History
Create componentFeb 7, 2020
Initial releaseMay 13, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 3.385COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C
OpenEye OEToolkits 2.0.7Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1)[S](=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C
OpenEye OEToolkits 2.0.7Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC

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InChI

InChI 1.03InChI=1S/C24H22ClN3O5S/c1-28-22(24(29)27-34(30,31)18-9-7-16(32-2)8-10-18)14-19-21(12-11-20(25)23(19)28)26-15-5-4-6-17(13-15)33-3/h4-14,26H,1-3H3,(H,27,29)

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InChIKey

InChI 1.03JEHVWVLILUTLQN-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6lw2:
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase

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