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canSAR839895
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NAMES
    SMILES
    Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(C(F)(F)F)cc2)c1
    InChI
    InChI=1S/C21H28F3N5/c1-14-8-18(29-20(25)9-14)10-16-12-27-13-19(16)28-7-6-26-11-15-2-4-17(5-3-15)21(22,23)24/h2-5,8-9,16,19,26-28H,6-7,10-13H2,1H3,(H2,25,29)/t16-,19-/m0/s1
    MOLECULAR FORMULA
    C21H28F3N5
    CROSS REFERENCES
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    canSAR839895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.23
    AlogP 2.50
    HBond donors 5
    HBond acceptors 5
    Atoms 57
    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 canSAR839895.