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canSAR1062955
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NAMES
    SMILES
    COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCOc4ccc(F)cc4)CC3)[C@@H]1CN2
    InChI
    InChI=1S/C25H31FN4O4/c1-31-22-13-19-21(14-23(22)32-2)27-15-20-24(34-28-25(19)20)16-30-9-7-29(8-10-30)11-12-33-18-5-3-17(26)4-6-18/h3-6,13-14,20,24,27H,7-12,15-16H2,1-2H3/t20-,24-/m0/s1
    MOLECULAR FORMULA
    C25H31FN4O4
    CROSS REFERENCES
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    canSAR1062955

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.23
    AlogP 2.68
    HBond donors 1
    HBond acceptors 8
    Atoms 65
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1062955.