1094042 logo
canSAR1094042
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cccc(C(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(O)cc(OC)cc2OC)c1
    InChI
    InChI=1S/C25H33NO5/c1-16-9-17(2)15-26(14-16)24(28)13-21(18-7-6-8-19(10-18)29-3)25-22(27)11-20(30-4)12-23(25)31-5/h6-8,10-12,16-17,21,27H,9,13-15H2,1-5H3/t16-,17+,21?
    MOLECULAR FORMULA
    C25H33NO5
    CROSS REFERENCES
    1094042 logo

    canSAR1094042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.24
    AlogP 4.44
    HBond donors 1
    HBond acceptors 6
    Atoms 64
    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 canSAR1094042.