846915 logo
canSAR846915
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc([C@H]2[C@H]3CCc4c(OC)cccc4C3=NN2C(C)=O)cc1
    InChI
    InChI=1S/C21H22N2O3/c1-13(24)23-21(14-7-9-15(25-2)10-8-14)18-12-11-16-17(20(18)22-23)5-4-6-19(16)26-3/h4-10,18,21H,11-12H2,1-3H3/t18-,21-/m0/s1
    MOLECULAR FORMULA
    C21H22N2O3
    CROSS REFERENCES
    846915 logo

    canSAR846915

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 350.16
    AlogP 3.57
    HBond donors 0
    HBond acceptors 5
    Atoms 48
    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 canSAR846915.