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canSAR649544
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NAMES
    SMILES
    CCCCN(Cc1cccc(Br)c1O)C(=S)Nc1ccccc1
    InChI
    InChI=1S/C18H21BrN2OS/c1-2-3-12-21(13-14-8-7-11-16(19)17(14)22)18(23)20-15-9-5-4-6-10-15/h4-11,22H,2-3,12-13H2,1H3,(H,20,23)
    MOLECULAR FORMULA
    C18H21BrN2OS
    CROSS REFERENCES
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    canSAR649544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.06
    AlogP 5.15
    HBond donors 2
    HBond acceptors 3
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR649544.