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canSAR1126114
FEATURES
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NAMES
    SMILES
    COc1ccc2nc(NC(=O)CN3CCC(C)CC3)sc2c1
    InChI
    InChI=1S/C16H21N3O2S/c1-11-5-7-19(8-6-11)10-15(20)18-16-17-13-4-3-12(21-2)9-14(13)22-16/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,18,20)
    MOLECULAR FORMULA
    C16H21N3O2S
    CROSS REFERENCES
    1126114 logo

    canSAR1126114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 319.14
    AlogP 2.98
    HBond donors 1
    HBond acceptors 5
    Atoms 43
    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 canSAR1126114.