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canSAR987442
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NAMES
    SMILES
    COc1c(C)cnc(C[S+]([O-])c2nc3cc(N4CCCCC4)c(NC(=O)C4CC4)cc3[nH]2)c1C
    InChI
    InChI=1S/C25H31N5O3S/c1-15-13-26-21(16(2)23(15)33-3)14-34(32)25-28-18-11-20(27-24(31)17-7-8-17)22(12-19(18)29-25)30-9-5-4-6-10-30/h11-13,17H,4-10,14H2,1-3H3,(H,27,31)(H,28,29)
    MOLECULAR FORMULA
    C25H31N5O3S
    CROSS REFERENCES
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    canSAR987442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.21
    AlogP 4.23
    HBond donors 2
    HBond acceptors 8
    Atoms 65
    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 canSAR987442.