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canSAR1059241
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1ccc(F)cc1)CC2
    InChI
    InChI=1S/C27H28FNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
    MOLECULAR FORMULA
    C27H28FNO5
    CROSS REFERENCES
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    canSAR1059241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.20
    AlogP 4.66
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    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 canSAR1059241.