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canSAR1446896
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NAMES
    SMILES
    Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1
    InChI
    InChI=1S/C23H27N7O2/c24-22-26-21(16-30-10-8-29(9-11-30)15-17-4-2-1-3-5-17)27-23(28-22)25-18-6-7-19-20(14-18)32-13-12-31-19/h1-7,14H,8-13,15-16H2,(H3,24,25,26,27,28)
    MOLECULAR FORMULA
    C23H27N7O2
    CROSS REFERENCES
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    canSAR1446896

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.22
    AlogP 2.29
    HBond donors 3
    HBond acceptors 9
    Atoms 59
    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 canSAR1446896.