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canSAR2000999
FEATURES
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NAMES
    SMILES
    Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)c1C
    InChI
    InChI=1S/C20H22N2O5S/c1-13-4-3-5-17(14(13)2)21-28(26,27)16-6-7-18-15(12-16)10-11-22(18)19(23)8-9-20(24)25/h3-7,12,21H,8-11H2,1-2H3,(H,24,25)
    MOLECULAR FORMULA
    C20H22N2O5S
    CROSS REFERENCES
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    canSAR2000999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.12
    AlogP 2.86
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    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 canSAR2000999.