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canSAR1686458
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NAMES
    SMILES
    COc1cc(C)cc2oc(=O)c(CC(=O)NCCc3ccc(Cl)cc3)c(C)c12
    InChI
    InChI=1S/C22H22ClNO4/c1-13-10-18(27-3)21-14(2)17(22(26)28-19(21)11-13)12-20(25)24-9-8-15-4-6-16(23)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,25)
    MOLECULAR FORMULA
    C22H22ClNO4
    CROSS REFERENCES
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    canSAR1686458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.12
    AlogP 3.97
    HBond donors 1
    HBond acceptors 5
    Atoms 50
    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 canSAR1686458.