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canSAR93282
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NAMES
    SMILES
    CO[C@@]12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCCN)C3=O)N1CC1NC12
    InChI
    InChI=1S/C18H25N5O5/c1-8-12(21-5-3-4-19)15(25)11-9(7-28-17(20)26)18(27-2)16-10(22-16)6-23(18)13(11)14(8)24/h9-10,16,21-22H,3-7,19H2,1-2H3,(H2,20,26)/t9?,10?,16?,18-/m1/s1
    MOLECULAR FORMULA
    C18H25N5O5
    CROSS REFERENCES
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    canSAR93282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.19
    AlogP -1.67
    HBond donors 6
    HBond acceptors 10
    Atoms 53
    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 canSAR93282.