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canSAR1126476
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NAMES
    SMILES
    COc1cc(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1
    InChI
    InChI=1S/C33H35F2NO4/c1-32(2)12-5-7-24(32)22-14-19(8-10-21(22)23-15-28(39-3)36-17-26(23)34)18-40-27-11-9-20-6-4-13-33(29(20)30(27)35)16-25(33)31(37)38/h8-11,14-15,17,24-25H,4-7,12-13,16,18H2,1-3H3,(H,37,38)/t24-,25-,33+/m0/s1
    MOLECULAR FORMULA
    C33H35F2NO4
    CROSS REFERENCES
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    canSAR1126476

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.25
    AlogP 7.59
    HBond donors 1
    HBond acceptors 5
    Atoms 75
    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 canSAR1126476.