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- ChemComp-A5Z: [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: A5Z
NameName: [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol

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Chemical information

Composition
Formula: C11H9Cl2NO2 / Number of atoms: 25 / Formula weight: 258.101 / Formal charge: 0
Others

5ort

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A5Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ORT
History
Create componentAug 16, 2017
Initial releaseNov 1, 2017
External linksUniChem / ChemSpider / CompTox / PubChem / 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

CACTVS 3.385Cc1onc(c1CO)c2c(Cl)cccc2Cl
OpenEye OEToolkits 2.0.6Cc1c(c(no1)c2c(cccc2Cl)Cl)CO

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SMILES CANONICAL

CACTVS 3.385Cc1onc(c1CO)c2c(Cl)cccc2Cl
OpenEye OEToolkits 2.0.6Cc1c(c(no1)c2c(cccc2Cl)Cl)CO

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InChI

InChI 1.03InChI=1S/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3

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InChIKey

InChI 1.03YDHHKMQOVBJACX-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol

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PDB entries

Showing all 1 items

PDB-5ort:
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment

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