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canSAR782329
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NAMES
    SMILES
    C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)COC(Nc1ccc(C)cc1)OO2
    InChI
    InChI=1S/C31H31NO3/c1-21-7-13-27(14-8-21)32-30-33-20-31(35-34-30)17-15-23(16-18-31)22(2)26-12-11-25-10-9-24-5-3-4-6-28(24)29(25)19-26/h3-14,19,23,30,32H,2,15-18,20H2,1H3
    MOLECULAR FORMULA
    C31H31NO3
    CROSS REFERENCES
    782329 logo

    canSAR782329

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.23
    AlogP 7.62
    HBond donors 1
    HBond acceptors 4
    Atoms 66
    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 canSAR782329.