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canSAR1620431
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NAMES
    SMILES
    OCCNCc1cc(Br)ccc1OCc1ccccc1Cl
    InChI
    InChI=1S/C16H17BrClNO2/c17-14-5-6-16(13(9-14)10-19-7-8-20)21-11-12-3-1-2-4-15(12)18/h1-6,9,19-20H,7-8,10-11H2
    MOLECULAR FORMULA
    C16H17BrClNO2
    CROSS REFERENCES
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    canSAR1620431

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.01
    AlogP 3.76
    HBond donors 2
    HBond acceptors 3
    Atoms 38
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620431.