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canSAR1025715
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NAMES
    SMILES
    COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)OCC(C)C)cc2C1
    InChI
    InChI=1S/C21H24ClNO5S/c1-13(2)12-27-21(25)28-18-10-14-11-23(9-8-17(14)29-18)19(20(24)26-3)15-6-4-5-7-16(15)22/h4-7,10,13,19H,8-9,11-12H2,1-3H3/t19-/m0/s1
    MOLECULAR FORMULA
    C21H24ClNO5S
    CROSS REFERENCES
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    canSAR1025715

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.11
    AlogP 4.85
    HBond donors 0
    HBond acceptors 6
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1025715.