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canSAR1863071
FEATURES
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NAMES
    SMILES
    CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)C2=C(O)c3c(cc4cccc(O)c4c3O)C[C@@H]21
    InChI
    InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m0/s1
    MOLECULAR FORMULA
    C21H20N2O6
    CROSS REFERENCES
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    canSAR1863071

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.13
    AlogP 1.50
    HBond donors 6
    HBond acceptors 8
    Atoms 49
    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 canSAR1863071.