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canSAR1125443
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NAMES
    SMILES
    COc1cccc(NCC(F)Cn2c3ccccc3c3cc(Br)ccc32)c1
    InChI
    InChI=1S/C22H20BrFN2O/c1-27-18-6-4-5-17(12-18)25-13-16(24)14-26-21-8-3-2-7-19(21)20-11-15(23)9-10-22(20)26/h2-12,16,25H,13-14H2,1H3
    MOLECULAR FORMULA
    C22H20BrFN2O
    CROSS REFERENCES
    1125443 logo

    canSAR1125443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.07
    AlogP 6.02
    HBond donors 1
    HBond acceptors 3
    Atoms 47
    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 canSAR1125443.