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canSAR462776
FEATURES
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NAMES
    SMILES
    CSCC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)nc1
    InChI
    InChI=1S/C20H21N3O9S2/c1-33-10-17(25)15(7-18(26)27)23-19(28)11-2-3-12(21-8-11)9-22-34(31,32)13-4-5-16(24)14(6-13)20(29)30/h2-6,8,15,22,24H,7,9-10H2,1H3,(H,23,28)(H,26,27)(H,29,30)/t15-/m0/s1
    MOLECULAR FORMULA
    C20H21N3O9S2
    CROSS REFERENCES
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    canSAR462776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.07
    AlogP 0.47
    HBond donors 5
    HBond acceptors 12
    Atoms 55
    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 canSAR462776.