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canSAR20039
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NAMES
    SMILES
    CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2c(OC)cccc2C(=O)O)cc1
    InChI
    InChI=1S/C23H25ClN2O4/c1-3-4-8-20-25-22(24)18(14-27)26(20)13-15-9-11-16(12-10-15)21-17(23(28)29)6-5-7-19(21)30-2/h5-7,9-12,27H,3-4,8,13-14H2,1-2H3,(H,28,29)
    MOLECULAR FORMULA
    C23H25ClN2O4
    CROSS REFERENCES
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    canSAR20039

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.15
    AlogP 4.79
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR20039.