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Yorodumi- ChemComp-B5N: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B5N |
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Name | Name: [ |
-Chemical information
Composition | Formula: C19H21FN2O / Number of atoms: 44 / Formula weight: 312.381 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B5N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EI4 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / ZINC / 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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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | [ |
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-PDB entries
Showing all 1 items
PDB-6ei4:
Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site