2095203 logo
canSAR2095203
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(/C=C/C(=O)N[C@@H](C)C(=O)OC)=C\c1ccc2c(c1)OCO2
    InChI
    InChI=1S/C18H21NO5/c1-4-13(6-8-17(20)19-12(2)18(21)22-3)9-14-5-7-15-16(10-14)24-11-23-15/h5-10,12H,4,11H2,1-3H3,(H,19,20)/b8-6+,13-9+/t12-/m0/s1
    MOLECULAR FORMULA
    C18H21NO5
    CROSS REFERENCES
    2095203 logo

    canSAR2095203

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.14
    AlogP 2.44
    HBond donors 1
    HBond acceptors 6
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095203.