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- ChemComp-ELH: 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: ELH
NameName: 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid

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Chemical information

Composition
Formula: C14H9NO2S / Number of atoms: 27 / Formula weight: 255.292 / Formal charge: 0
Others

6g46

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ELH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6G46
History
Create componentMar 26, 2018
Initial releaseSep 26, 2018
External linksUniChem / ChemSpider / BindingDB / ChEMBL / 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 3.385OC(=O)c1csc(n1)c2cccc3ccccc23
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1csc(n1)c2cccc3ccccc23
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O

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InChI

InChI 1.03InChI=1S/C14H9NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,16,17)

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InChIKey

InChI 1.03AQRUWPVKXHZCKR-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.62-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid

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PDB entries

Showing all 1 items

PDB-6g46:
Red kidney bean purple acid phosphatase in complex with 2-(Naphthalen-1-yl)thiazole-4-carboxylic acid

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