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canSAR660957
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NAMES
    SMILES
    CC(C)CC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1
    InChI
    InChI=1S/C26H30F6N2O2/c1-16(2)3-9-21(19-6-10-23(33-15-19)26(30,31)32)34-12-11-17(14-24(35)36)13-22(34)18-4-7-20(8-5-18)25(27,28)29/h4-8,10,15-17,21-22H,3,9,11-14H2,1-2H3,(H,35,36)/t17-,21-,22+/m1/s1
    MOLECULAR FORMULA
    C26H30F6N2O2
    CROSS REFERENCES
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    canSAR660957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.22
    AlogP 7.52
    HBond donors 1
    HBond acceptors 4
    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 canSAR660957.