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canSAR1441690
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NAMES
    SMILES
    COc1ccc(CNCCC(c2ccccc2)c2ccc(OC(C)C)cc2)cc1OC
    InChI
    InChI=1S/C27H33NO3/c1-20(2)31-24-13-11-23(12-14-24)25(22-8-6-5-7-9-22)16-17-28-19-21-10-15-26(29-3)27(18-21)30-4/h5-15,18,20,25,28H,16-17,19H2,1-4H3
    MOLECULAR FORMULA
    C27H33NO3
    CROSS REFERENCES
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    canSAR1441690

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.25
    AlogP 5.80
    HBond donors 1
    HBond acceptors 4
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1441690.