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canSAR1061102
FEATURES
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NAMES
    SMILES
    CO[C@H]1C(=O)N2C(C(=O)N(C)[C@H](C)C(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@H]12
    InChI
    InChI=1S/C15H20N2O9S/c1-7(15(21)22)16(3)12(19)10-9(5-26-8(2)18)6-27(23,24)14-11(25-4)13(20)17(10)14/h7,11,14H,5-6H2,1-4H3,(H,21,22)/t7-,11+,14-/m1/s1
    MOLECULAR FORMULA
    C15H20N2O9S
    CROSS REFERENCES
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    canSAR1061102

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.09
    AlogP -1.65
    HBond donors 1
    HBond acceptors 11
    Atoms 47
    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 canSAR1061102.