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canSAR1013774
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NAMES
    SMILES
    CC(C)CCC(c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CC[C@@H](F)C1
    InChI
    InChI=1S/C25H29F4NO2/c1-16(2)3-10-23(30-12-11-20(26)15-30)21-9-4-17(14-24(31)32)13-22(21)18-5-7-19(8-6-18)25(27,28)29/h4-9,13,16,20,23H,3,10-12,14-15H2,1-2H3,(H,31,32)/t20-,23?/m1/s1
    MOLECULAR FORMULA
    C25H29F4NO2
    CROSS REFERENCES
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    canSAR1013774

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.21
    AlogP 6.52
    HBond donors 1
    HBond acceptors 3
    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 canSAR1013774.