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canSAR1429284
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NAMES
    SMILES
    CC1CCC2C(=O)OC(CO)CN2C1c1ccc(Br)cc1
    InChI
    InChI=1S/C16H20BrNO3/c1-10-2-7-14-16(20)21-13(9-19)8-18(14)15(10)11-3-5-12(17)6-4-11/h3-6,10,13-15,19H,2,7-9H2,1H3
    MOLECULAR FORMULA
    C16H20BrNO3
    CROSS REFERENCES
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    canSAR1429284

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.06
    AlogP 2.51
    HBond donors 1
    HBond acceptors 4
    Atoms 41
    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 canSAR1429284.