canSAR289444
FEATURES
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NAMES
    SMILES
    CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc4[nH]c(C)nc4c3)CS[C@H]12)c1csc(N)n1
    InChI
    InChI=1S/C21H20N8O5S2/c1-9-23-11-3-4-28(6-12(11)24-9)5-10-7-35-19-15(18(31)29(19)16(10)20(32)33)26-17(30)14(27-34-2)13-8-36-21(22)25-13/h3-4,6,8,15,19H,5,7H2,1-2H3,(H4,22,25,26,30,32,33)/b27-14-/t15-,19-/m1/s1
    MOLECULAR FORMULA
    C21H20N8O5S2
    CROSS REFERENCES
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    canSAR289444
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight528.10
    AlogP-1.35
    HBond donors4
    HBond acceptors13
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR289444.