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- ChemComp-38D: N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide -

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Basic information

EntryDatabase: PDB chemical components / ID: 38D
NameName: N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide

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Chemical information

Composition
Formula: C14H10Cl2N2O3 / Number of atoms: 31 / Formula weight: 325.147 / Formal charge: 0
Others

4tr9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 38D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4TR9
History
Create componentJul 3, 2014
Modify descriptorSep 5, 2014
Initial releaseAug 26, 2015
External linksUniChem / ChemSpider / ChEMBL / CompTox / 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

ACDLabs 12.01Clc2cc(Cl)ccc2/C=N/NC(=O)c1ccc(O)c(O)c1
CACTVS 3.385Oc1ccc(cc1O)C(=O)NN=Cc2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.9.2c1cc(c(cc1C(=O)NN=Cc2ccc(cc2Cl)Cl)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(cc1O)C(=O)N\N=C\c2ccc(Cl)cc2Cl
OpenEye OEToolkits 1.9.2c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O

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InChI

InChI 1.03InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+

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InChIKey

InChI 1.03ISRFJSGSMHRMSJ-REZTVBANSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide
OpenEye OEToolkits 1.9.2N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-bis(oxidanyl)benzamide

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PDB entries

Showing all 1 items

PDB-4tr9:
Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor

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