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canSAR2002209
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NAMES
    SMILES
    COc1ccc(CNCCC(c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1OC
    InChI
    InChI=1S/C28H35NO4/c1-20(2)33-23-13-11-22(12-14-23)24(25-8-6-7-9-26(25)30-3)16-17-29-19-21-10-15-27(31-4)28(18-21)32-5/h6-15,18,20,24,29H,16-17,19H2,1-5H3
    MOLECULAR FORMULA
    C28H35NO4
    CROSS REFERENCES
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    canSAR2002209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.26
    AlogP 5.81
    HBond donors 1
    HBond acceptors 5
    Atoms 68
    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 canSAR2002209.