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Yorodumi- ChemComp-7JJ: 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7JJ |
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Name | Name: Synonyms: 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one |
-Chemical information
Composition | Formula: C14H8ClFN2O2 / Number of atoms: 28 / Formula weight: 290.677 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7JJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5P9R | ||||||
History |
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External links | UniChem / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-5p9r:
humanized rat COMT in complex with 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one