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canSAR1830060
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NAMES
    SMILES
    C[C@]1(c2nc(NC(=O)c3ncc(OCCCF)nc3N)ccc2F)N=C(N)OCC1(F)F
    InChI
    InChI=1S/C18H19F4N7O3/c1-17(18(21,22)8-32-16(24)29-17)13-9(20)3-4-10(26-13)27-15(30)12-14(23)28-11(7-25-12)31-6-2-5-19/h3-4,7H,2,5-6,8H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t17-/m1/s1
    MOLECULAR FORMULA
    C18H19F4N7O3
    CROSS REFERENCES
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    canSAR1830060

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.15
    AlogP 1.78
    HBond donors 5
    HBond acceptors 10
    Atoms 51
    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 canSAR1830060.