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canSAR398736
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NAMES
    SMILES
    O=C1N(CC2CC2)[C@H](Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(F)cc2)N1CC1CC1
    InChI
    InChI=1S/C27H32F2N2O3/c28-21-9-5-17(6-10-21)13-23-25(32)26(33)24(14-18-7-11-22(29)12-8-18)31(16-20-3-4-20)27(34)30(23)15-19-1-2-19/h5-12,19-20,23-26,32-33H,1-4,13-16H2/t23-,24-,25+,26+/m1/s1
    MOLECULAR FORMULA
    C27H32F2N2O3
    CROSS REFERENCES
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    canSAR398736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.24
    AlogP 3.77
    HBond donors 2
    HBond acceptors 5
    Atoms 66
    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 canSAR398736.