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canSAR35097
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NAMES
    SMILES
    CN(C)c1ccc(B(OC(=O)c2ncccc2O)c2ccc(N(C)C)c(Cl)c2)cc1Cl
    InChI
    InChI=1S/C22H22BCl2N3O3/c1-27(2)18-9-7-14(12-16(18)24)23(15-8-10-19(28(3)4)17(25)13-15)31-22(30)21-20(29)6-5-11-26-21/h5-13,29H,1-4H3
    MOLECULAR FORMULA
    C22H22BCl2N3O3
    CROSS REFERENCES
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    canSAR35097

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.11
    AlogP 3.19
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR35097.