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canSAR642888
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NAMES
    SMILES
    Oc1ccc2ccccc2c1CN(Cc1c(O)ccc2ccccc12)C1CCCCC1
    InChI
    InChI=1S/C28H29NO2/c30-27-16-14-20-8-4-6-12-23(20)25(27)18-29(22-10-2-1-3-11-22)19-26-24-13-7-5-9-21(24)15-17-28(26)31/h4-9,12-17,22,30-31H,1-3,10-11,18-19H2
    MOLECULAR FORMULA
    C28H29NO2
    CROSS REFERENCES
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    canSAR642888

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.22
    AlogP 6.74
    HBond donors 2
    HBond acceptors 3
    Atoms 60
    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 canSAR642888.