canSAR1932078
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H](CC(C)C)NC(=O)/C=C/[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C18H25N3O8/c1-9(2)8-10(17(26)28-3)19-12(22)5-4-11-14(24)15(25)16(29-11)21-7-6-13(23)20-18(21)27/h4-7,9-11,14-16,24-25H,8H2,1-3H3,(H,19,22)(H,20,23,27)/b5-4+/t10-,11+,14+,15+,16+/m0/s1
    MOLECULAR FORMULA
    C18H25N3O8
    CROSS REFERENCES
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    canSAR1932078
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight411.16
    AlogP-1.58
    HBond donors4
    HBond acceptors11
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932078.