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canSAR651179
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NAMES
    SMILES
    COc1cc(OC)c(C(=O)/C=C/c2ccccc2F)c(O)c1CN1CCCCC1
    InChI
    InChI=1S/C23H26FNO4/c1-28-20-14-21(29-2)22(19(26)11-10-16-8-4-5-9-18(16)24)23(27)17(20)15-25-12-6-3-7-13-25/h4-5,8-11,14,27H,3,6-7,12-13,15H2,1-2H3/b11-10+
    MOLECULAR FORMULA
    C23H26FNO4
    CROSS REFERENCES
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    canSAR651179

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.18
    AlogP 4.43
    HBond donors 1
    HBond acceptors 5
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR651179.