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canSAR2016633
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NAMES
    SMILES
    Cc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C17H18N4O2S/c1-10-14(21(22)23)8-15(24-10)16-11-6-4-2-3-5-7-13(11)20-17(19)12(16)9-18/h8H,2-7H2,1H3,(H2,19,20)
    MOLECULAR FORMULA
    C17H18N4O2S
    CROSS REFERENCES
    2016633 logo

    canSAR2016633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.12
    AlogP 4.14
    HBond donors 2
    HBond acceptors 6
    Atoms 42
    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 canSAR2016633.