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canSAR1118051
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NAMES
    SMILES
    CC(C)CNc1cc(NCCNc2cc(-c3ccccc3)nc(N)n2)nc(N)n1
    InChI
    InChI=1S/C20H27N9/c1-13(2)12-25-18-11-17(28-20(22)29-18)24-9-8-23-16-10-15(26-19(21)27-16)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H3,21,23,26,27)(H4,22,24,25,28,29)
    MOLECULAR FORMULA
    C20H27N9
    CROSS REFERENCES
    1118051 logo

    canSAR1118051

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.24
    AlogP 2.69
    HBond donors 7
    HBond acceptors 9
    Atoms 56
    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 canSAR1118051.