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canSAR2085159
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NAMES
    SMILES
    CC1(F)CCN(c2nc(-c3cnc(N)c(OC(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1
    InChI
    InChI=1S/C20H22F4N6O2/c1-19(21)2-3-29(10-19)18-27-14(6-16(28-18)30-8-13-5-12(30)9-31-13)11-4-15(17(25)26-7-11)32-20(22,23)24/h4,6-7,12-13H,2-3,5,8-10H2,1H3,(H2,25,26)/t12-,13-,19?/m0/s1
    MOLECULAR FORMULA
    C20H22F4N6O2
    CROSS REFERENCES
    2085159 logo

    canSAR2085159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.17
    AlogP 2.94
    HBond donors 2
    HBond acceptors 8
    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 canSAR2085159.