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canSAR1504039
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)c1c(COc2ccc(-c3cccc(CC(=O)O)c3)cc2)ccc(C(F)(F)F)c1O
    InChI
    InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(9-12-21(24(23)33)27(28,29)30)15-35-20-10-7-17(8-11-20)18-6-4-5-16(13-18)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32)
    MOLECULAR FORMULA
    C27H25F3O6
    CROSS REFERENCES
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    canSAR1504039

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.16
    AlogP 6.24
    HBond donors 2
    HBond acceptors 6
    Atoms 61
    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 canSAR1504039.