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canSAR652546
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NAMES
    SMILES
    CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
    InChI
    InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
    MOLECULAR FORMULA
    C27H26N6O3
    CROSS REFERENCES
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    canSAR652546

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.21
    AlogP 5.78
    HBond donors 4
    HBond acceptors 9
    Atoms 62
    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 canSAR652546.