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canSAR1017735
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NAMES
    SMILES
    COC(=O)[C@H](CO)NC(=O)[C@@H](N)CSCCOC(=O)c1ccc(-c2ccccc2)cc1
    InChI
    InChI=1S/C22H26N2O6S/c1-29-22(28)19(13-25)24-20(26)18(23)14-31-12-11-30-21(27)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-19,25H,11-14,23H2,1H3,(H,24,26)/t18-,19-/m0/s1
    MOLECULAR FORMULA
    C22H26N2O6S
    CROSS REFERENCES
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    canSAR1017735

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.15
    AlogP 1.22
    HBond donors 4
    HBond acceptors 8
    Atoms 57
    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 canSAR1017735.