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canSAR643612
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NAMES
    SMILES
    CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc(CN(C)C)c1O.Cl
    InChI
    InChI=1S/C21H24Cl2N2O2.ClH/c1-24(2)12-16-10-15(11-17(21(16)27)13-25(3)4)20(26)8-6-14-5-7-18(22)19(23)9-14;/h5-11,27H,12-13H2,1-4H3;1H
    MOLECULAR FORMULA
    C21H25Cl3N2O2
    CROSS REFERENCES
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    canSAR643612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.10
    AlogP 5.14
    HBond donors 1
    HBond acceptors 4
    Atoms 53
    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 canSAR643612.