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canSAR1864174
FEATURES
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NAMES
    SMILES
    CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21
    InChI
    InChI=1S/C18H19N3O5S/c1-3-27(25,26)20-9-8-13-10-14(5-7-17(13)20)18(22)19-16-11-15(21(23)24)6-4-12(16)2/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,22)
    MOLECULAR FORMULA
    C18H19N3O5S
    CROSS REFERENCES
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    canSAR1864174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.10
    AlogP 2.87
    HBond donors 1
    HBond acceptors 8
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1864174.