canSAR1846278
FEATURES
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NAMES
    SMILES
    N[C@@H](CSCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C20H24N4O8S/c21-11(9-33-8-10-4-2-1-3-5-10)17(28)23-13(19(29)30)16-14(26)15(27)18(32-16)24-7-6-12(25)22-20(24)31/h1-7,11,13-16,18,26-27H,8-9,21H2,(H,23,28)(H,29,30)(H,22,25,31)/t11-,13-,14-,15+,16+,18+/m0/s1
    MOLECULAR FORMULA
    C20H24N4O8S
    CROSS REFERENCES
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    canSAR1846278
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight480.13
    AlogP-2.01
    HBond donors7
    HBond acceptors12
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846278.