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canSAR847789
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NAMES
    SMILES
    CN1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)[nH]c23)CC1
    InChI
    InChI=1S/C25H32N6/c1-29-13-15-30(16-14-29)21-8-2-7-20-24(21)28-22(27-20)17-31-12-4-6-19-10-9-18-5-3-11-26-23(18)25(19)31/h2-3,5,7-8,11,19,25H,4,6,9-10,12-17H2,1H3,(H,27,28)/t19-,25-/m0/s1
    MOLECULAR FORMULA
    C25H32N6
    CROSS REFERENCES
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    canSAR847789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.27
    AlogP 3.61
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR847789.