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Yorodumi- ChemComp-62V: 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 62V |
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Name | Name: |
-Chemical information
Composition | Formula: C18H13ClN2O / Number of atoms: 35 / Formula weight: 308.762 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 62V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HM0 | ||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / ZINC / 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 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | |
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-PDB entries
Showing all 1 items
PDB-5hm0:
Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3