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canSAR2091688
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NAMES
    SMILES
    C[C@@H]1CCCN1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1
    InChI
    InChI=1S/C20H24F2N6O2/c1-11-3-2-4-27(11)20-25-15(12-5-16(30-19(21)22)18(23)24-8-12)7-17(26-20)28-9-14-6-13(28)10-29-14/h5,7-8,11,13-14,19H,2-4,6,9-10H2,1H3,(H2,23,24)/t11-,13+,14+/m1/s1
    MOLECULAR FORMULA
    C20H24F2N6O2
    CROSS REFERENCES
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    canSAR2091688

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.19
    AlogP 2.69
    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 canSAR2091688.