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canSAR1131816
FEATURES
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NAMES
    SMILES
    C=C(Br)C(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1
    InChI
    InChI=1S/C21H14BrF3N2O3S/c1-12(22)18(28)26-16-8-4-13(5-9-16)10-17-19(29)27(20(30)31-17)11-14-2-6-15(7-3-14)21(23,24)25/h2-10H,1,11H2,(H,26,28)/b17-10-
    MOLECULAR FORMULA
    C21H14BrF3N2O3S
    CROSS REFERENCES
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    canSAR1131816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.99
    AlogP 5.79
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1131816.