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canSAR2017412
FEATURES
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NAMES
    SMILES
    CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1C(C)NC(=O)Cc1ccc(OC)cc1
    InChI
    InChI=1S/C23H25BrN4O3S/c1-4-28-22(15(2)25-21(30)13-16-5-11-19(31-3)12-6-16)26-27-23(28)32-14-20(29)17-7-9-18(24)10-8-17/h5-12,15H,4,13-14H2,1-3H3,(H,25,30)
    MOLECULAR FORMULA
    C23H25BrN4O3S
    CROSS REFERENCES
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    canSAR2017412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.08
    AlogP 4.46
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR2017412.