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canSAR1768720
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NAMES
    SMILES
    COc1ccc(Nc2nc(NCc3ccco3)nc(N/N=C/c3ccc(O)cc3)n2)cc1
    InChI
    InChI=1S/C22H21N7O3/c1-31-18-10-6-16(7-11-18)25-21-26-20(23-14-19-3-2-12-32-19)27-22(28-21)29-24-13-15-4-8-17(30)9-5-15/h2-13,30H,14H2,1H3,(H3,23,25,26,27,28,29)/b24-13+
    MOLECULAR FORMULA
    C22H21N7O3
    CROSS REFERENCES
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    canSAR1768720

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.17
    AlogP 3.98
    HBond donors 4
    HBond acceptors 10
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1768720.