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canSAR1689780
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NAMES
    SMILES
    COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1
    InChI
    InChI=1S/C25H26N6O3S/c1-17(32)26-18-6-4-7-19(14-18)27-24(33)16-35-25-29-28-23(15-21-8-5-13-30(21)2)31(25)20-9-11-22(34-3)12-10-20/h4-14H,15-16H2,1-3H3,(H,26,32)(H,27,33)
    MOLECULAR FORMULA
    C25H26N6O3S
    CROSS REFERENCES
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    canSAR1689780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.18
    AlogP 3.89
    HBond donors 2
    HBond acceptors 9
    Atoms 61
    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 canSAR1689780.