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canSAR101961
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NAMES
    SMILES
    COCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O
    InChI
    InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h9H,4-6H2,1-3H3,(H,17,20)/t9-/m1/s1
    MOLECULAR FORMULA
    C16H17N3O6
    CROSS REFERENCES
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    canSAR101961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 347.11
    AlogP 0.31
    HBond donors 1
    HBond acceptors 9
    Atoms 42
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR101961.