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canSAR1525991
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NAMES
    SMILES
    C=C(C)CN(CC)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3C12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C27H33N7O/c1-4-33(13-14(2)3)25-19(12-28)21-18-8-20(35)34(26(18)32-24(30)22(21)23(29)31-25)27-9-15-5-16(10-27)7-17(6-15)11-27/h15-17H,2,4-11,13H2,1,3H3,(H2,29,31)(H2,30,32)
    MOLECULAR FORMULA
    C27H33N7O
    CROSS REFERENCES
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    canSAR1525991

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.27
    AlogP 3.93
    HBond donors 4
    HBond acceptors 8
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1525991.