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Yorodumi- ChemComp-BWR: ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidany... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BWR |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C20H23N5O2S / Number of atoms: 51 / Formula weight: 397.494 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BWR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6JOF | ||||
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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