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canSAR1127085
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NAMES
    SMILES
    COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1
    InChI
    InChI=1S/C33H33FO4/c1-32(2)13-4-5-27(32)25-15-20(6-10-24(25)26-16-22(37-3)9-11-30(26)34)19-38-23-8-7-21-12-14-33(28(21)17-23)18-29(33)31(35)36/h5-11,15-17,29H,4,12-14,18-19H2,1-3H3,(H,35,36)/t29-,33-/m0/s1
    MOLECULAR FORMULA
    C33H33FO4
    CROSS REFERENCES
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    canSAR1127085

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.24
    AlogP 7.57
    HBond donors 1
    HBond acceptors 4
    Atoms 71
    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 canSAR1127085.