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canSAR1507780
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NAMES
    SMILES
    N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(NN2CCOCC2)c1
    InChI
    InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)
    MOLECULAR FORMULA
    C20H19ClN10O
    CROSS REFERENCES
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    canSAR1507780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.14
    AlogP 2.50
    HBond donors 3
    HBond acceptors 11
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1507780.