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canSAR1013357
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NAMES
    SMILES
    COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12
    InChI
    InChI=1S/C24H25ClN6O/c1-29-11-13-30(14-12-29)22-9-7-17(15-20(22)25)27-24-26-16-18-8-10-21(31(18)28-24)19-5-3-4-6-23(19)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,28)
    MOLECULAR FORMULA
    C24H25ClN6O
    CROSS REFERENCES
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    canSAR1013357

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.18
    AlogP 4.55
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1013357.