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Yorodumi- ChemComp-J88: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-ind... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J88 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C23H17FN2O4 / Number of atoms: 47 / Formula weight: 404.39 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J88 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3G9N | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / DrugBank / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 1 items
PDB-3g9n:
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one