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canSAR1005616
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NAMES
    SMILES
    CCOC(=O)c1cc2c(-c3cn(CC)nc3-c3cccc(NC(=O)Nc4ccccc4)c3)ccnc2[nH]1
    InChI
    InChI=1S/C28H26N6O3/c1-3-34-17-23(21-13-14-29-26-22(21)16-24(32-26)27(35)37-4-2)25(33-34)18-9-8-12-20(15-18)31-28(36)30-19-10-6-5-7-11-19/h5-17H,3-4H2,1-2H3,(H,29,32)(H2,30,31,36)
    MOLECULAR FORMULA
    C28H26N6O3
    CROSS REFERENCES
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    canSAR1005616

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.21
    AlogP 5.93
    HBond donors 3
    HBond acceptors 9
    Atoms 63
    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 canSAR1005616.