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canSAR786837
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NAMES
    SMILES
    CN1CCN(c2ncc(-c3ccc(C(F)(F)F)cc3)c(N[C@@H]3C[C@@H]4CC[C@H]3C4)n2)CC1
    InChI
    InChI=1S/C23H28F3N5/c1-30-8-10-31(11-9-30)22-27-14-19(16-4-6-18(7-5-16)23(24,25)26)21(29-22)28-20-13-15-2-3-17(20)12-15/h4-7,14-15,17,20H,2-3,8-13H2,1H3,(H,27,28,29)/t15-,17+,20-/m1/s1
    MOLECULAR FORMULA
    C23H28F3N5
    CROSS REFERENCES
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    canSAR786837

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.23
    AlogP 4.51
    HBond donors 1
    HBond acceptors 5
    Atoms 59
    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 canSAR786837.