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canSAR2001379
FEATURES
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NAMES
    SMILES
    CS(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H]1[C@H](SC2CCCCC2)O[C@@H](CO)[C@H](O)[C@H]1O
    InChI
    InChI=1S/C23H36N2O6S2/c1-33(30)25-17(13-12-15-8-4-2-5-9-15)22(29)24-19-21(28)20(27)18(14-26)31-23(19)32-16-10-6-3-7-11-16/h2,4-5,8-9,16-21,23,25-28H,3,6-7,10-14H2,1H3,(H,24,29)/t17-,18-,19-,20-,21-,23-,33?/m0/s1
    MOLECULAR FORMULA
    C23H36N2O6S2
    CROSS REFERENCES
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    canSAR2001379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.20
    AlogP 0.86
    HBond donors 5
    HBond acceptors 8
    Atoms 69
    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 canSAR2001379.