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canSAR1998933
FEATURES
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NAMES
    SMILES
    Cc1ccc(SCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1C
    InChI
    InChI=1S/C21H22N2O3S/c1-16-9-10-19(13-17(16)2)27-15-21(25)26-14-20(24)23(12-6-11-22)18-7-4-3-5-8-18/h3-5,7-10,13H,6,12,14-15H2,1-2H3
    MOLECULAR FORMULA
    C21H22N2O3S
    CROSS REFERENCES
    1998933 logo

    canSAR1998933

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.14
    AlogP 3.89
    HBond donors 0
    HBond acceptors 5
    Atoms 49
    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 canSAR1998933.