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canSAR828119
FEATURES
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NAMES
    SMILES
    N[C@@H](Cc1c[nH]c2ccccc12)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/C21H23N5O8/c22-11(7-9-8-23-12-4-2-1-3-10(9)12)18(30)25-14(20(31)32)17-15(28)16(29)19(34-17)26-6-5-13(27)24-21(26)33/h1-6,8,11,14-17,19,23,28-29H,7,22H2,(H,25,30)(H,31,32)(H,24,27,33)/t11-,14-,15-,16+,17+,19?/m0/s1
    MOLECULAR FORMULA
    C21H23N5O8
    CROSS REFERENCES
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    canSAR828119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.15
    AlogP -2.22
    HBond donors 8
    HBond acceptors 13
    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 canSAR828119.