canSAR737093
FEATURES
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NAMES
    SMILES
    CC(C)O[C@@H]1[C@@H](COS(=O)(=O)NC(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(C)C
    InChI
    InChI=1S/C22H35N3O15S/c1-9(2)36-17-12(38-19(18(17)37-10(3)4)25-6-5-13(27)23-21(25)31)8-35-41(33,34)24-22(32)40-20-16(30)15(29)14(28)11(7-26)39-20/h5-6,9-12,14-20,26,28-30H,7-8H2,1-4H3,(H,24,32)(H,23,27,31)/t11-,12-,14-,15+,16-,17-,18-,19-,20-/m1/s1
    MOLECULAR FORMULA
    C22H35N3O15S
    CROSS REFERENCES
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    canSAR737093
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight613.18
    AlogP-3.19
    HBond donors6
    HBond acceptors18
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR737093.