canSAR818358
FEATURES
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NAMES
    SMILES
    NC(=O)OC[C@H](O)[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1OC(n2cc(CO)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14?/m0/s1
    MOLECULAR FORMULA
    C17H25N5O13
    CROSS REFERENCES
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    canSAR818358
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight507.14
    AlogP-6.64
    HBond donors12
    HBond acceptors18
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818358.