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canSAR2089335
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NAMES
    SMILES
    N[C@H](CNc1nc(-c2ccncc2F)nc2c(Br)csc12)Cc1ccccc1
    InChI
    InChI=1S/C20H17BrFN5S/c21-15-11-28-18-17(15)26-19(14-6-7-24-10-16(14)22)27-20(18)25-9-13(23)8-12-4-2-1-3-5-12/h1-7,10-11,13H,8-9,23H2,(H,25,26,27)/t13-/m0/s1
    MOLECULAR FORMULA
    C20H17BrFN5S
    CROSS REFERENCES
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    canSAR2089335

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.04
    AlogP 4.64
    HBond donors 3
    HBond acceptors 5
    Atoms 45
    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 canSAR2089335.