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canSAR1024018
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NAMES
    SMILES
    COc1cccc(C2OC(CC(=O)O)c3ccc(CN(C)C)n3-c3ccc(Cl)cc32)c1OC
    InChI
    InChI=1S/C25H27ClN2O5/c1-27(2)14-16-9-11-20-22(13-23(29)30)33-24(17-6-5-7-21(31-3)25(17)32-4)18-12-15(26)8-10-19(18)28(16)20/h5-12,22,24H,13-14H2,1-4H3,(H,29,30)
    MOLECULAR FORMULA
    C25H27ClN2O5
    CROSS REFERENCES
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    canSAR1024018

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.16
    AlogP 4.84
    HBond donors 1
    HBond acceptors 7
    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 canSAR1024018.