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canSAR1059818
FEATURES
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NAMES
    SMILES
    Cc1cn([C@@H]2C[C@H](O)[C@@H](CNS(=O)(=O)c3ccc4ccccc4c3)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C20H21N3O6S/c1-12-11-23(20(26)22-19(12)25)18-9-16(24)17(29-18)10-21-30(27,28)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,11,16-18,21,24H,9-10H2,1H3,(H,22,25,26)/t16-,17+,18-/m0/s1
    MOLECULAR FORMULA
    C20H21N3O6S
    CROSS REFERENCES
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    canSAR1059818

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.12
    AlogP 0.63
    HBond donors 3
    HBond acceptors 9
    Atoms 51
    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 canSAR1059818.