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canSAR1638483
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NAMES
    SMILES
    COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2cccs2)cc1
    InChI
    InChI=1S/C25H27N3OS2/c1-17-6-11-24-23(15-17)22(18(2)26-24)12-13-28(16-21-5-4-14-31-21)25(30)27-19-7-9-20(29-3)10-8-19/h4-11,14-15,26H,12-13,16H2,1-3H3,(H,27,30)
    MOLECULAR FORMULA
    C25H27N3OS2
    CROSS REFERENCES
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    canSAR1638483

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.16
    AlogP 6.30
    HBond donors 2
    HBond acceptors 4
    Atoms 58
    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 canSAR1638483.