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canSAR1617817
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NAMES
    SMILES
    Cc1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1
    InChI
    InChI=1S/C28H27BrFN3O3/c1-17-6-11-20(31-14-17)16-36-21-12-24(30)26-25(13-21)33(15-18-7-9-19(29)10-8-18)27(32-26)22-4-2-3-5-23(22)28(34)35/h6-14,22-23H,2-5,15-16H2,1H3,(H,34,35)/t22-,23+/m1/s1
    MOLECULAR FORMULA
    C28H27BrFN3O3
    CROSS REFERENCES
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    canSAR1617817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.12
    AlogP 6.63
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR1617817.