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canSAR1442423
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NAMES
    SMILES
    COc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1
    InChI
    InChI=1S/C23H27N7O3/c1-31-18-5-3-2-4-17(18)25-23-27-21(26-22(24)28-23)14-30-10-8-29(9-11-30)13-16-6-7-19-20(12-16)33-15-32-19/h2-7,12H,8-11,13-15H2,1H3,(H3,24,25,26,27,28)
    MOLECULAR FORMULA
    C23H27N7O3
    CROSS REFERENCES
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    canSAR1442423

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.22
    AlogP 2.25
    HBond donors 3
    HBond acceptors 10
    Atoms 60
    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 canSAR1442423.