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canSAR172489
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NAMES
    SMILES
    C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1O)C(C)(C)C
    InChI
    InChI=1S/C17H19N3O3/c1-9(17(2,3)4)19-13-14(16(23)15(13)22)20-11-6-5-10(8-18)7-12(11)21/h5-7,9,21-23H,1-4H3/b19-13-,20-14-/t9-/m1/s1
    MOLECULAR FORMULA
    C17H19N3O3
    CROSS REFERENCES
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    canSAR172489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 313.14
    AlogP 2.12
    HBond donors 3
    HBond acceptors 6
    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 canSAR172489.