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canSAR1649070
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NAMES
    SMILES
    Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)c1
    InChI
    InChI=1S/C19H19N3O3S/c1-13-9-14(2)11-16(10-13)18(23)21-8-7-20-19(21)26-12-15-3-5-17(6-4-15)22(24)25/h3-6,9-11H,7-8,12H2,1-2H3
    MOLECULAR FORMULA
    C19H19N3O3S
    CROSS REFERENCES
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    canSAR1649070

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.11
    AlogP 3.96
    HBond donors 0
    HBond acceptors 6
    Atoms 45
    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 canSAR1649070.