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- ChemComp-EDZ: 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea -

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Basic information

EntryDatabase: PDB chemical components / ID: EDZ
NameName: 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea

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Chemical information

Composition
Formula: C11H12N4O2S / Number of atoms: 30 / Formula weight: 264.304 / Formal charge: 0
Others

5hqx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EDZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HQX
History
Create componentJan 22, 2016
Initial releaseJul 27, 2016
External linksUniChem / ChemSpider / Nikkaji / PubChem / 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 12.01c1ccc(c(c1)CCO)NC(Nc2cnns2)=O
CACTVS 3.385OCCc1ccccc1NC(=O)Nc2snnc2
OpenEye OEToolkits 2.0.4c1ccc(c(c1)CCO)NC(=O)Nc2cnns2

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SMILES CANONICAL

CACTVS 3.385OCCc1ccccc1NC(=O)Nc2snnc2
OpenEye OEToolkits 2.0.4c1ccc(c(c1)CCO)NC(=O)Nc2cnns2

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InChI

InChI 1.03InChI=1S/C11H12N4O2S/c16-6-5-8-3-1-2-4-9(8)13-11(17)14-10-7-12-15-18-10/h1-4,7,16H,5-6H2,(H2,13,14,17)

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InChIKey

InChI 1.03DJQZHXFMOOHESI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea
OpenEye OEToolkits 2.0.41-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea

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PDB entries

Showing all 1 items

PDB-5hqx:
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ

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