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canSAR1511140
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NAMES
    SMILES
    Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(CN)cc2)CC1
    InChI
    InChI=1S/C27H27F4N7/c1-37-14-22(19-6-7-21(28)20(12-19)27(29,30)31)36-25(37)18-8-10-38(11-9-18)26-23(24(33)34-15-35-26)17-4-2-16(13-32)3-5-17/h2-7,12,14-15,18H,8-11,13,32H2,1H3,(H2,33,34,35)
    MOLECULAR FORMULA
    C27H27F4N7
    CROSS REFERENCES
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    canSAR1511140

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.23
    AlogP 5.13
    HBond donors 4
    HBond acceptors 7
    Atoms 65
    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 canSAR1511140.