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- ChemComp-EZO: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylid... -

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Basic information

EntryDatabase: PDB chemical components / ID: EZO
NameName: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid

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Chemical information

Composition
Formula: C18H14ClN3O2S / Number of atoms: 39 / Formula weight: 371.841 / Formal charge: 0
Others

6m2b

Type: non-polymer / PDB classification: HETAIN / Three letter code: EZO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6M2B
History
Create componentFeb 27, 2020
Initial releaseMar 3, 2021
External linksUniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / 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 3.385CN(N=Cc1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl
OpenEye OEToolkits 2.0.7CN(c1nc(cs1)c2ccccc2Cl)N=Cc3ccccc3C(=O)O

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SMILES CANONICAL

CACTVS 3.385CN(\N=C\c1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl
OpenEye OEToolkits 2.0.7CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O

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InChI

InChI 1.03InChI=1S/C18H14ClN3O2S/c1-22(20-10-12-6-2-3-7-13(12)17(23)24)18-21-16(11-25-18)14-8-4-5-9-15(14)19/h2-11H,1H3,(H,23,24)/b20-10+

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InChIKey

InChI 1.03MWIQPUXVXAVFRM-KEBDBYFISA-N

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PDB entries

Showing all 1 items

PDB-6m2b:
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416

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