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canSAR1503858
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NAMES
    SMILES
    COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(S)=Nc3ccc(F)cc3)c2c1
    InChI
    InChI=1S/C24H24FN3OS2/c1-16-21(22-14-19(29-2)9-10-23(22)26-16)11-12-28(15-20-4-3-13-31-20)24(30)27-18-7-5-17(25)6-8-18/h3-10,13-14,26H,11-12,15H2,1-2H3,(H,27,30)
    MOLECULAR FORMULA
    C24H24FN3OS2
    CROSS REFERENCES
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    canSAR1503858

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.13
    AlogP 6.35
    HBond donors 1
    HBond acceptors 4
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503858.