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canSAR1768189
FEATURES
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NAMES
    SMILES
    CC1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21
    InChI
    InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7?,10?,14?,15?,17?,22-/m0/s1
    MOLECULAR FORMULA
    C22H24N2O8
    CROSS REFERENCES
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    canSAR1768189

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.15
    AlogP -0.35
    HBond donors 7
    HBond acceptors 10
    Atoms 56
    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 canSAR1768189.