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canSAR1016032
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NAMES
    SMILES
    CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)cc3)nc2c1
    InChI
    InChI=1S/C19H21N3O4S/c1-2-27(23,24)16-7-8-18-17(13-16)21-19(26-18)20-14-3-5-15(6-4-14)22-9-11-25-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,20,21)
    MOLECULAR FORMULA
    C19H21N3O4S
    CROSS REFERENCES
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    canSAR1016032

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.13
    AlogP 3.20
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1016032.