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canSAR1690355
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NAMES
    SMILES
    COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cnn(C)c5)ccc4OC(=O)C(C)(C)C)c(F)c3)NC(=O)NC1=O)C2
    InChI
    InChI=1S/C35H30F2N6O6/c1-34(2,3)32(46)49-26-11-9-24(21-15-38-42(4)16-21)39-29(26)22-8-6-19(14-23(22)36)12-13-35(31(45)40-33(47)41-35)18-43-17-20-7-10-25(48-5)28(37)27(20)30(43)44/h6-11,14-16H,17-18H2,1-5H3,(H2,40,41,45,47)/t35-/m1/s1
    MOLECULAR FORMULA
    C35H30F2N6O6
    CROSS REFERENCES
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    canSAR1690355

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.22
    AlogP 3.97
    HBond donors 2
    HBond acceptors 12
    Atoms 79
    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 canSAR1690355.