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canSAR66978
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NAMES
    SMILES
    CCCCc1nc(-c2cccc(C(=O)OC)n2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
    InChI
    InChI=1S/C28H27N7O2/c1-3-4-12-26-30-25(23-10-7-11-24(29-23)28(36)37-2)18-35(26)17-19-13-15-20(16-14-19)21-8-5-6-9-22(21)27-31-33-34-32-27/h5-11,13-16,18H,3-4,12,17H2,1-2H3,(H,31,32,33,34)
    MOLECULAR FORMULA
    C28H27N7O2
    CROSS REFERENCES
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    canSAR66978

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.22
    AlogP 4.97
    HBond donors 1
    HBond acceptors 9
    Atoms 64
    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 canSAR66978.