91552 logo
canSAR91552
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C(c1cccc(-c2ccccc2)c1)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
    InChI
    InChI=1S/C21H21NO4/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)15-8-5-9-16(10-15)14-6-3-2-4-7-14/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18-,20-/m0/s1
    MOLECULAR FORMULA
    C21H21NO4
    CROSS REFERENCES
    91552 logo

    canSAR91552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.15
    AlogP 3.13
    HBond donors 3
    HBond acceptors 5
    Atoms 47
    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 canSAR91552.