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canSAR2084016
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NAMES
    SMILES
    CC(C)(O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1
    InChI
    InChI=1S/C24H30F2N6O2/c1-24(2,33)11-31-9-15-16(10-31)20(15)18-6-17(13-5-19(34-22(25)26)21(27)28-7-13)29-23(30-18)32-8-12-3-14(32)4-12/h5-7,12,14-16,20,22,33H,3-4,8-11H2,1-2H3,(H2,27,28)/t12?,14?,15-,16+,20+
    MOLECULAR FORMULA
    C24H30F2N6O2
    CROSS REFERENCES
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    canSAR2084016

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.24
    AlogP 2.74
    HBond donors 3
    HBond acceptors 8
    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 canSAR2084016.