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canSAR73213
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NAMES
    SMILES
    CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(C)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
    InChI
    InChI=1S/C32H32ClN5O3/c1-5-40-30-17-27-25(16-28(30)37-31(39)10-7-13-38(3)4)32(23(18-34)19-35-27)36-24-11-12-29(26(33)15-24)41-20-22-9-6-8-21(2)14-22/h6-12,14-17,19H,5,13,20H2,1-4H3,(H,35,36)(H,37,39)/b10-7+
    MOLECULAR FORMULA
    C32H32ClN5O3
    CROSS REFERENCES
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    canSAR73213

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 569.22
    AlogP 6.85
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    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 canSAR73213.