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canSAR729647
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NAMES
    SMILES
    C=C(CC)C(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(Cl)c1Cl
    InChI
    InChI=1S/C20H16Cl3NO5/c1-3-10(2)19(26)12-5-7-15(18(23)17(12)22)29-9-16(25)24-11-4-6-14(21)13(8-11)20(27)28/h4-8H,2-3,9H2,1H3,(H,24,25)(H,27,28)
    MOLECULAR FORMULA
    C20H16Cl3NO5
    CROSS REFERENCES
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    canSAR729647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.01
    AlogP 5.51
    HBond donors 2
    HBond acceptors 6
    Atoms 45
    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 canSAR729647.