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canSAR1524158
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NAMES
    SMILES
    C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3sc4c(c3C#N)CCCC4)nc21
    InChI
    InChI=1S/C25H24N6OS2/c1-3-13-31-18-11-7-5-10-16(18)21-22(31)27-25(30-29-21)34-19(4-2)23(32)28-24-17(14-26)15-9-6-8-12-20(15)33-24/h3,5,7,10-11,19H,1,4,6,8-9,12-13H2,2H3,(H,28,32)
    MOLECULAR FORMULA
    C25H24N6OS2
    CROSS REFERENCES
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    canSAR1524158

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.15
    AlogP 5.49
    HBond donors 1
    HBond acceptors 7
    Atoms 58
    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 canSAR1524158.