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canSAR1589345
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NAMES
    SMILES
    OC[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H](O)c1ccccc1
    InChI
    InChI=1S/C21H20F3N3O2/c22-21(23,24)16-8-6-15(7-9-16)20-25-11-10-17(27-20)12-26-18(13-28)19(29)14-4-2-1-3-5-14/h1-11,18-19,26,28-29H,12-13H2/t18-,19-/m0/s1
    MOLECULAR FORMULA
    C21H20F3N3O2
    CROSS REFERENCES
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    canSAR1589345

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.15
    AlogP 3.35
    HBond donors 3
    HBond acceptors 5
    Atoms 49
    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 canSAR1589345.