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canSAR1615518
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NAMES
    SMILES
    CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1
    InChI
    InChI=1S/C14H16N4O3S/c1-4-14(2,3)12-16-17-13(22-12)15-11(19)9-5-7-10(8-6-9)18(20)21/h5-8H,4H2,1-3H3,(H,15,17,19)
    MOLECULAR FORMULA
    C14H16N4O3S
    CROSS REFERENCES
    1615518 logo

    canSAR1615518

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 320.09
    AlogP 3.39
    HBond donors 1
    HBond acceptors 7
    Atoms 38
    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 canSAR1615518.