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Yorodumi- ChemComp-7JV: 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7JV |
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Name | Name: Synonyms: 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one |
-Chemical information
Composition | Formula: C16H14N2O3 / Number of atoms: 35 / Formula weight: 282.294 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7JV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5PA3 | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / 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-5pa3:
humanized COMT in complex with 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one