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canSAR848500
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NAMES
    SMILES
    C[C@H]1CCCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
    InChI
    InChI=1S/C16H18N4O2S/c1-11-4-2-3-5-14(11)18-19-16-17-15(10-23-16)12-6-8-13(9-7-12)20(21)22/h6-11H,2-5H2,1H3,(H,17,19)/b18-14+/t11-/m0/s1
    MOLECULAR FORMULA
    C16H18N4O2S
    CROSS REFERENCES
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    canSAR848500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.12
    AlogP 4.70
    HBond donors 1
    HBond acceptors 6
    Atoms 41
    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 canSAR848500.