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canSAR1687586
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NAMES
    SMILES
    CC12CCC=CC1C(c1ccc(F)c(Br)c1)N(Cc1ccccc1)C2=O
    InChI
    InChI=1S/C22H21BrFNO/c1-22-12-6-5-9-17(22)20(16-10-11-19(24)18(23)13-16)25(21(22)26)14-15-7-3-2-4-8-15/h2-5,7-11,13,17,20H,6,12,14H2,1H3
    MOLECULAR FORMULA
    C22H21BrFNO
    CROSS REFERENCES
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    canSAR1687586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.08
    AlogP 5.64
    HBond donors 0
    HBond acceptors 2
    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 canSAR1687586.