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canSAR2021084
FEATURES
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NAMES
    SMILES
    CCCCCCCCS(=O)(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1C(=O)O
    InChI
    InChI=1S/C21H26ClNO4S/c1-2-3-4-5-6-7-14-28(26,27)23-20-13-10-17(15-19(20)21(24)25)16-8-11-18(22)12-9-16/h8-13,15,23H,2-7,14H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C21H26ClNO4S
    CROSS REFERENCES
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    canSAR2021084

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.13
    AlogP 5.81
    HBond donors 2
    HBond acceptors 5
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021084.