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canSAR1068177
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2ccc(C(=O)NN3C(=O)CSC3c3coc([N+](=O)[O-])c3)cc2)cc1
    InChI
    InChI=1S/C22H18N4O7S/c1-32-17-8-4-13(5-9-17)20(28)23-16-6-2-14(3-7-16)21(29)24-25-18(27)12-34-22(25)15-10-19(26(30)31)33-11-15/h2-11,22H,12H2,1H3,(H,23,28)(H,24,29)
    MOLECULAR FORMULA
    C22H18N4O7S
    CROSS REFERENCES
    1068177 logo

    canSAR1068177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.09
    AlogP 3.37
    HBond donors 2
    HBond acceptors 11
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1068177.