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canSAR1827119
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NAMES
    SMILES
    O=C(Nc1cc(Cl)c(O)cc1O)C1(c2cccc(Br)c2)CCC1
    InChI
    InChI=1S/C17H15BrClNO3/c18-11-4-1-3-10(7-11)17(5-2-6-17)16(23)20-13-8-12(19)14(21)9-15(13)22/h1,3-4,7-9,21-22H,2,5-6H2,(H,20,23)
    MOLECULAR FORMULA
    C17H15BrClNO3
    CROSS REFERENCES
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    canSAR1827119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.99
    AlogP 4.57
    HBond donors 3
    HBond acceptors 4
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1827119.