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canSAR832418
FEATURES
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NAMES
    SMILES
    N[C@@H](CSc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C19H22N4O9S/c20-10(7-33-9-3-1-8(24)2-4-9)16(28)22-12(18(29)30)15-13(26)14(27)17(32-15)23-6-5-11(25)21-19(23)31/h1-6,10,12-15,17,24,26-27H,7,20H2,(H,22,28)(H,29,30)(H,21,25,31)/t10-,12-,13-,14+,15+,17?/m0/s1
    MOLECULAR FORMULA
    C19H22N4O9S
    CROSS REFERENCES
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    canSAR832418

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.11
    AlogP -2.45
    HBond donors 8
    HBond acceptors 13
    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 canSAR832418.