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Yorodumi- ChemComp-A9W: [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A9W |
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Name | Name: [ |
-Chemical information
Composition | Formula: C14H15ClNO / Number of atoms: 32 / Formula weight: 248.728 / Formal charge: 1 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A9W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OSP | ||||
History |
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External links | UniChem / PubChem / ChemSpider / 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-5osp:
The crystal structure of CK2alpha in complex with an analogue of compound 1