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canSAR1650879
FEATURES
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NAMES
    SMILES
    Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)cc1Cl
    InChI
    InChI=1S/C20H19ClN2O3S/c1-13-4-5-14(11-16(13)21)22-19(24)12-23-15(7-9-20(25)26)6-8-17(23)18-3-2-10-27-18/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,24)(H,25,26)
    MOLECULAR FORMULA
    C20H19ClN2O3S
    CROSS REFERENCES
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    canSAR1650879

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.08
    AlogP 4.83
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650879.