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canSAR2020173
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NAMES
    SMILES
    CCN1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2ccc(Br)cc2)C1
    InChI
    InChI=1S/C22H25BrN4OS/c1-3-26-13-10-18-19(14-26)29-21(27-11-4-5-12-27)20(18)15(2)24-22(28)25-17-8-6-16(23)7-9-17/h4-9,11-12,15H,3,10,13-14H2,1-2H3,(H2,24,25,28)
    MOLECULAR FORMULA
    C22H25BrN4OS
    CROSS REFERENCES
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    canSAR2020173

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.09
    AlogP 5.56
    HBond donors 2
    HBond acceptors 5
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2020173.