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canSAR1827513
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NAMES
    SMILES
    COc1ccc(/C=C/C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1OC
    InChI
    InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)/b8-4+
    MOLECULAR FORMULA
    C18H17N3O6S
    CROSS REFERENCES
    1827513 logo

    canSAR1827513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.08
    AlogP 2.84
    HBond donors 3
    HBond acceptors 9
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1827513.