Vismodegib (Q5000)

From Chemical Compounds of Interest
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chemical compound
Language Label Description Also known as
English
Vismodegib
chemical compound

    Statements

    SMILES (without stereochemistry)
    CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl
    0 references
    chemical formula
    C₁₉H₁₄Cl₂N₂O₃S
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    746
    0 references
     
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