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canSAR781266
FEATURES
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NAMES
    SMILES
    N[C@@H](CSCc1ccccc1)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/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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    canSAR781266

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.13
    AlogP -2.01
    HBond donors 7
    HBond acceptors 12
    Atoms 57
    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 canSAR781266.