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canSAR228194
FEATURES
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NAMES
    SMILES
    O=C[C@H](CC(=O)O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1cccc(Cl)c1
    InChI
    InChI=1S/C23H25ClN2O9S/c24-15-5-3-4-14(10-15)18(22(31)26-16(13-27)11-21(29)30)6-1-2-9-25-36(34,35)17-7-8-20(28)19(12-17)23(32)33/h3-5,7-8,10,12-13,16,18,25,28H,1-2,6,9,11H2,(H,26,31)(H,29,30)(H,32,33)/t16-,18?/m0/s1
    MOLECULAR FORMULA
    C23H25ClN2O9S
    CROSS REFERENCES
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    canSAR228194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.10
    AlogP 2.13
    HBond donors 5
    HBond acceptors 11
    Atoms 61
    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 canSAR228194.