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canSAR1523780
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NAMES
    SMILES
    COc1ccc(Nc2ncc(CNC(C)C)cc2-c2nc(C)nc3[nH]cnc23)cn1
    InChI
    InChI=1S/C21H24N8O/c1-12(2)22-8-14-7-16(18-19-21(26-11-25-19)28-13(3)27-18)20(24-9-14)29-15-5-6-17(30-4)23-10-15/h5-7,9-12,22H,8H2,1-4H3,(H,24,29)(H,25,26,27,28)
    MOLECULAR FORMULA
    C21H24N8O
    CROSS REFERENCES
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    canSAR1523780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.21
    AlogP 3.37
    HBond donors 3
    HBond acceptors 9
    Atoms 54
    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 canSAR1523780.