canSAR1846248
FEATURES
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NAMES
    SMILES
    CSCCC(N)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/C15H22N4O8S/c1-28-5-3-6(16)12(23)18-8(14(24)25)11-9(21)10(22)13(27-11)19-4-2-7(20)17-15(19)26/h2,4,6,8-11,13,21-22H,3,5,16H2,1H3,(H,18,23)(H,24,25)(H,17,20,26)/t6?,8-,9-,10+,11+,13+/m0/s1
    MOLECULAR FORMULA
    C15H22N4O8S
    CROSS REFERENCES
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    canSAR1846248
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.12
    AlogP-3.19
    HBond donors7
    HBond acceptors12
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846248.