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canSAR847040
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NAMES
    SMILES
    CCN1C(=O)c2c(nc(C(N)=O)n2Cc2ccc(OC)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12
    InChI
    InChI=1S/C21H23BrN6O3/c1-3-26-20(30)16-18(28-14-6-4-5-13(14)24-21(26)28)25-19(17(23)29)27(16)10-11-7-8-15(31-2)12(22)9-11/h7-9,13-14H,3-6,10H2,1-2H3,(H2,23,29)/t13-,14+/m1/s1
    MOLECULAR FORMULA
    C21H23BrN6O3
    CROSS REFERENCES
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    canSAR847040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.10
    AlogP 2.37
    HBond donors 2
    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 canSAR847040.