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canSAR163774
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NAMES
    SMILES
    CCN(CC)c1nc(C)c2[nH]c(SCC(=O)NCCCN)[n+](CCCN(C)C)c2n1
    InChI
    InChI=1S/C20H36N8OS/c1-6-27(7-2)19-23-15(3)17-18(25-19)28(13-9-12-26(4)5)20(24-17)30-14-16(29)22-11-8-10-21/h6-14,21H2,1-5H3,(H,22,29)/p+1
    MOLECULAR FORMULA
    C20H37N8OS+
    CROSS REFERENCES
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    canSAR163774

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.28
    AlogP 0.91
    HBond donors 4
    HBond acceptors 9
    Atoms 67
    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 canSAR163774.