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canSAR19590
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NAMES
    SMILES
    CCCCNc1nc(NCCCC)nc(Nc2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)n1
    InChI
    InChI=1S/C24H34N8O2S/c1-6-8-12-25-21-29-22(26-13-9-7-2)31-24(30-21)32-23-27-17(15-20(28-23)35-5)16-10-11-18(33-3)19(14-16)34-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H3,25,26,27,28,29,30,31,32)
    MOLECULAR FORMULA
    C24H34N8O2S
    CROSS REFERENCES
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    canSAR19590

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.25
    AlogP 5.24
    HBond donors 3
    HBond acceptors 10
    Atoms 69
    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 canSAR19590.