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canSAR345841
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NAMES
    SMILES
    O=C(Cc1ccccc1)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1
    InChI
    InChI=1S/C20H17BrClNO4/c21-9-4-10-26-20-18(22)15-8-7-14(12-16(15)19(25)27-20)23-17(24)11-13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2,(H,23,24)
    MOLECULAR FORMULA
    C20H17BrClNO4
    CROSS REFERENCES
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    canSAR345841

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.00
    AlogP 4.79
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    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 canSAR345841.