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canSAR466975
FEATURES
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NAMES
    SMILES
    COC12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCN(C=O)CC4)C3=O)N1C[C@H]1N[C@H]12
    InChI
    InChI=1S/C20H25N5O6/c1-10-14(24-5-3-23(9-26)4-6-24)17(28)13-11(8-31-19(21)29)20(30-2)18-12(22-18)7-25(20)15(13)16(10)27/h9,11-12,18,22H,3-8H2,1-2H3,(H2,21,29)/t11-,12+,18+,20?/m0/s1
    MOLECULAR FORMULA
    C20H25N5O6
    CROSS REFERENCES
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    canSAR466975

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.18
    AlogP -1.84
    HBond donors 3
    HBond acceptors 11
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR466975.