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canSAR1864927
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NAMES
    SMILES
    Oc1cc2c(cc1CN1CCc3ccccc3C1)OCO2
    InChI
    InChI=1S/C17H17NO3/c19-15-8-17-16(20-11-21-17)7-14(15)10-18-6-5-12-3-1-2-4-13(12)9-18/h1-4,7-8,19H,5-6,9-11H2
    MOLECULAR FORMULA
    C17H17NO3
    CROSS REFERENCES
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    canSAR1864927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 283.12
    AlogP 2.68
    HBond donors 1
    HBond acceptors 4
    Atoms 38
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1864927.