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canSAR1976783
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NAMES
    SMILES
    CN1CCN(c2ccc(Nc3nc4c(Nc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
    InChI
    InChI=1S/C24H29N9O2S/c1-30-14-16-32(17-15-30)19-10-8-18(9-11-19)26-24-28-23-21(7-5-13-33(23)29-24)27-20-6-4-12-25-22(20)31(2)36(3,34)35/h4-13,27H,14-17H2,1-3H3,(H,26,29)
    MOLECULAR FORMULA
    C24H29N9O2S
    CROSS REFERENCES
    1976783 logo

    canSAR1976783

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.22
    AlogP 2.76
    HBond donors 2
    HBond acceptors 11
    Atoms 65
    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 canSAR1976783.