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canSAR1834171
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NAMES
    SMILES
    CN(C)c1ccc(/C=N/NC2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1
    InChI
    InChI=1S/C19H17N5O3S/c1-23(2)15-7-5-14(6-8-15)12-20-22-19-21-18(25)17(28-19)11-13-3-9-16(10-4-13)24(26)27/h3-12H,1-2H3,(H,21,22,25)/b17-11-,20-12+
    MOLECULAR FORMULA
    C19H17N5O3S
    CROSS REFERENCES
    1834171 logo

    canSAR1834171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.11
    AlogP 3.25
    HBond donors 1
    HBond acceptors 8
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1834171.