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canSAR1204542
FEATURES
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NAMES
    SMILES
    CC(C(=O)O)c1ccc(N2CCCCC2)cc1
    InChI
    InChI=1S/C14H19NO2/c1-11(14(16)17)12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
    MOLECULAR FORMULA
    C14H19NO2
    CROSS REFERENCES
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    canSAR1204542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 233.14
    AlogP 2.87
    HBond donors 1
    HBond acceptors 3
    Atoms 36
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1204542.