782335 logo
canSAR782335
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(N3CC3)C[C@@H]12
    InChI
    InChI=1S/C21H27NO2/c1-21-8-7-16-15-6-4-14(24-2)11-13(15)3-5-17(16)18(21)12-19(20(21)23)22-9-10-22/h4,6,11,16-19H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19?,21+/m1/s1
    MOLECULAR FORMULA
    C21H27NO2
    CROSS REFERENCES
    782335 logo

    canSAR782335

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.20
    AlogP 3.41
    HBond donors 0
    HBond acceptors 3
    Atoms 51
    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 canSAR782335.