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canSAR78243
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NAMES
    SMILES
    Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc5nsnc45)CC3)ccc2s1
    InChI
    InChI=1S/C23H26N6O3S2/c1-15-24-20-11-17(5-6-21(20)33-15)32-14-16(30)12-28-7-9-29(10-8-28)13-22(31)25-18-3-2-4-19-23(18)27-34-26-19/h2-6,11,16,30H,7-10,12-14H2,1H3,(H,25,31)/t16-/m1/s1
    MOLECULAR FORMULA
    C23H26N6O3S2
    CROSS REFERENCES
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    canSAR78243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.15
    AlogP 2.61
    HBond donors 2
    HBond acceptors 9
    Atoms 60
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR78243.