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canSAR1636552
FEATURES
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NAMES
    SMILES
    O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NCc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C21H22N2O8S/c24-20(22-12-15-4-5-18-19(10-15)31-14-30-18)13-29-21(25)16-2-1-3-17(11-16)32(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9,12-14H2,(H,22,24)
    MOLECULAR FORMULA
    C21H22N2O8S
    CROSS REFERENCES
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    canSAR1636552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.11
    AlogP 0.91
    HBond donors 1
    HBond acceptors 10
    Atoms 54
    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 canSAR1636552.