159000 logo
canSAR159000
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)SC(=O)N[C@@H]1C(=O)NCCO[N+](=O)[O-]
    InChI
    InChI=1S/C8H13N3O5S/c1-8(2)5(10-7(13)17-8)6(12)9-3-4-16-11(14)15/h5H,3-4H2,1-2H3,(H,9,12)(H,10,13)/t5-/m1/s1
    MOLECULAR FORMULA
    C8H13N3O5S
    CROSS REFERENCES
    159000 logo

    canSAR159000

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 263.06
    AlogP -0.09
    HBond donors 2
    HBond acceptors 8
    Atoms 30
    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 canSAR159000.