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canSAR1015511
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NAMES
    SMILES
    CN(C)c1nnc(C2=NNC(=O)/C2=C\c2cn(C)c3cccc(OCc4ccccc4)c23)s1
    InChI
    InChI=1S/C24H22N6O2S/c1-29(2)24-28-27-23(33-24)21-17(22(31)26-25-21)12-16-13-30(3)18-10-7-11-19(20(16)18)32-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3,(H,26,31)/b17-12-
    MOLECULAR FORMULA
    C24H22N6O2S
    CROSS REFERENCES
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    canSAR1015511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.15
    AlogP 3.59
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1015511.