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Yorodumi- ChemComp-6QB: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 6QB |
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Name | Name: |
-Chemical information
Composition | Formula: C21H18ClFN6O2 / Number of atoms: 49 / Formula weight: 440.858 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6QB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5K4J | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.5 |
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