canSAR936555
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)NNC(N)=S)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NNC(N)=S)=C(C)N1
    InChI
    InChI=1S/C17H20N8O4S2/c1-7-11(14(26)21-23-16(18)30)13(9-3-5-10(6-4-9)25(28)29)12(8(2)20-7)15(27)22-24-17(19)31/h3-6,13,20H,1-2H3,(H,21,26)(H,22,27)(H3,18,23,30)(H3,19,24,31)
    MOLECULAR FORMULA
    C17H20N8O4S2
    CROSS REFERENCES
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    canSAR936555
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight464.10
    AlogP-0.44
    HBond donors9
    HBond acceptors12
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR936555.