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Yorodumi- ChemComp-WHU: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoran... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: WHU |
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Name | Name: |
-Chemical information
Composition | Formula: C18H11BrCl2FN5O2 / Number of atoms: 40 / Formula weight: 499.121 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: WHU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YNF | ||||||
History |
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External links | UniChem / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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