106377 logo
canSAR106377
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CCC3OC(C)=O)C1=O
    InChI
    InChI=1S/C17H18N2O7/c1-7-14(21)13-11(15(22)16(7)24-3)9(6-25-17(18)23)12-10(26-8(2)20)4-5-19(12)13/h10H,4-6H2,1-3H3,(H2,18,23)
    MOLECULAR FORMULA
    C17H18N2O7
    CROSS REFERENCES
    106377 logo

    canSAR106377

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 362.11
    AlogP 1.39
    HBond donors 2
    HBond acceptors 9
    Atoms 44
    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 canSAR106377.