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canSAR77953
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NAMES
    SMILES
    CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)/C=C/c1cccc2cccnc12
    InChI
    InChI=1S/C37H28ClN5O3/c1-2-45-34-20-31-29(19-32(34)43-35(44)16-13-26-11-6-10-25-12-7-17-40-36(25)26)37(27(21-39)22-41-31)42-28-14-15-33(30(38)18-28)46-23-24-8-4-3-5-9-24/h3-20,22H,2,23H2,1H3,(H,41,42)(H,43,44)/b16-13+
    MOLECULAR FORMULA
    C37H28ClN5O3
    CROSS REFERENCES
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    canSAR77953

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 625.19
    AlogP 8.68
    HBond donors 2
    HBond acceptors 8
    Atoms 74
    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 canSAR77953.