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canSAR1767653
FEATURES
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NAMES
    SMILES
    COc1ccc2c(C(=O)NCCCCO)c(-c3ccc(S(C)(=O)=O)cc3)sc2c1
    InChI
    InChI=1S/C21H23NO5S2/c1-27-15-7-10-17-18(13-15)28-20(19(17)21(24)22-11-3-4-12-23)14-5-8-16(9-6-14)29(2,25)26/h5-10,13,23H,3-4,11-12H2,1-2H3,(H,22,24)
    MOLECULAR FORMULA
    C21H23NO5S2
    CROSS REFERENCES
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    canSAR1767653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.10
    AlogP 3.48
    HBond donors 2
    HBond acceptors 6
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1767653.