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canSAR1592684
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NAMES
    SMILES
    CCCCn1nnnc1C(c1cc2ccccc2o1)N1CCN(C(=O)OC(C)(C)C)CC1
    InChI
    InChI=1S/C23H32N6O3/c1-5-6-11-29-21(24-25-26-29)20(19-16-17-9-7-8-10-18(17)31-19)27-12-14-28(15-13-27)22(30)32-23(2,3)4/h7-10,16,20H,5-6,11-15H2,1-4H3
    MOLECULAR FORMULA
    C23H32N6O3
    CROSS REFERENCES
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    canSAR1592684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.25
    AlogP 3.86
    HBond donors 0
    HBond acceptors 9
    Atoms 64
    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 canSAR1592684.