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canSAR183621
FEATURES
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NAMES
    SMILES
    C=CCOc1ccc(/C=C(/C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1NS(C)(=O)=O
    InChI
    InChI=1S/C21H28N2O9S/c1-4-7-30-14-6-5-12(9-13(14)23-33(3,28)29)8-11(2)21(27)22-15-16(24)18(26)20-19(17(15)25)31-10-32-20/h4-6,8-9,15-20,23-26H,1,7,10H2,2-3H3,(H,22,27)/b11-8-/t15-,16+,17-,18-,19+,20-/m1/s1
    MOLECULAR FORMULA
    C21H28N2O9S
    CROSS REFERENCES
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    canSAR183621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.15
    AlogP -0.65
    HBond donors 5
    HBond acceptors 11
    Atoms 61
    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 canSAR183621.