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canSAR2091757
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NAMES
    SMILES
    COc1ncc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1
    InChI
    InChI=1S/C22H23N7O2/c1-14-3-4-20(15(7-14)8-23)29-6-5-18-17(11-29)21(27-13-26-18)28-19(12-30)16-9-24-22(31-2)25-10-16/h3-4,7,9-10,13,19,30H,5-6,11-12H2,1-2H3,(H,26,27,28)/t19-/m1/s1
    MOLECULAR FORMULA
    C22H23N7O2
    CROSS REFERENCES
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    canSAR2091757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.19
    AlogP 2.16
    HBond donors 2
    HBond acceptors 9
    Atoms 54
    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 canSAR2091757.