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canSAR397289
FEATURES
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NAMES
    SMILES
    CC[C@@H]1C[C@H](O)C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C21H32ClN3O6S/c1-2-17-13-19(27)14-18(25(17)32(29,30)20-5-3-16(22)4-6-20)15-31-21(28)24-9-7-23(8-10-24)11-12-26/h3-6,17-19,26-27H,2,7-15H2,1H3/t17-,18-,19+/m1/s1
    MOLECULAR FORMULA
    C21H32ClN3O6S
    CROSS REFERENCES
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    canSAR397289

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.17
    AlogP 1.38
    HBond donors 2
    HBond acceptors 9
    Atoms 64
    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 canSAR397289.