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canSAR1859309
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NAMES
    SMILES
    Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)c(C)c4)c3c2)nc1
    InChI
    InChI=1S/C30H30F3N3O4/c1-18-7-9-21(34-15-18)17-39-22-10-11-25-26(14-22)36(28(35-25)23-5-3-4-6-24(23)29(37)38)16-20-8-12-27(19(2)13-20)40-30(31,32)33/h7-15,23-24H,3-6,16-17H2,1-2H3,(H,37,38)/t23-,24+/m1/s1
    MOLECULAR FORMULA
    C30H30F3N3O4
    CROSS REFERENCES
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    canSAR1859309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.22
    AlogP 6.93
    HBond donors 1
    HBond acceptors 7
    Atoms 70
    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 canSAR1859309.