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canSAR1690123
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NAMES
    SMILES
    COc1ccc(COC[C@H](CC(C)C)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CCC2=O)cc1
    InChI
    InChI=1S/C27H33F3N2O4/c1-19(2)15-23(18-36-17-20-7-9-24(35-3)10-8-20)32-14-13-31(12-11-25(32)33)26(34)21-5-4-6-22(16-21)27(28,29)30/h4-10,16,19,23H,11-15,17-18H2,1-3H3/t23-/m0/s1
    MOLECULAR FORMULA
    C27H33F3N2O4
    CROSS REFERENCES
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    canSAR1690123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.24
    AlogP 5.02
    HBond donors 0
    HBond acceptors 6
    Atoms 69
    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 canSAR1690123.