canSAR1746649
FEATURES
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NAMES
    SMILES
    CC(C)NC[C@H](O)c1ccc(O)c(O)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
    InChI
    InChI=1S/C11H17NO3.C4H6O6/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;5-1(3(7)8)2(6)4(9)10/h3-5,7,11-15H,6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1
    MOLECULAR FORMULA
    C15H23NO9
    CROSS REFERENCES
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    canSAR1746649
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight361.14
    AlogP-0.99
    HBond donors8
    HBond acceptors10
    Atoms48
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746649.