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canSAR1013521
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NAMES
    SMILES
    COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(CC(=O)OCCO[N+](=O)[O-])c2C)cc1
    InChI
    InChI=1S/C23H24N2O8S/c1-16-18(15-23(26)32-12-13-33-25(27)28)14-22(17-4-10-21(11-5-17)34(3,29)30)24(16)19-6-8-20(31-2)9-7-19/h4-11,14H,12-13,15H2,1-3H3
    MOLECULAR FORMULA
    C23H24N2O8S
    CROSS REFERENCES
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    canSAR1013521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.13
    AlogP 3.16
    HBond donors 0
    HBond acceptors 10
    Atoms 58
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1013521.