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canSAR392398
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NAMES
    SMILES
    COc1c(Cl)cc(Cl)c(OC)c1C(=O)NCC1CN(Cc2ccccc2)CCO1
    InChI
    InChI=1S/C21H24Cl2N2O4/c1-27-19-16(22)10-17(23)20(28-2)18(19)21(26)24-11-15-13-25(8-9-29-15)12-14-6-4-3-5-7-14/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,24,26)
    MOLECULAR FORMULA
    C21H24Cl2N2O4
    CROSS REFERENCES
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    canSAR392398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.11
    AlogP 3.64
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR392398.