canSAR1084992
FEATURES
Loading...
NAMES
    SMILES
    CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN[C@H](C)c4ccccc4)c(C)c3oc2=O)ccc1O
    InChI
    InChI=1S/C33H36N2O5/c1-21(2)11-12-25-19-27(13-15-29(25)36)32(37)35-28-20-26-14-16-30(22(3)31(26)40-33(28)38)39-18-8-17-34-23(4)24-9-6-5-7-10-24/h5-7,9-11,13-16,19-20,23,34,36H,8,12,17-18H2,1-4H3,(H,35,37)/t23-/m1/s1
    MOLECULAR FORMULA
    C33H36N2O5
    CROSS REFERENCES
    Loading...
    canSAR1084992
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight540.26
    AlogP6.69
    HBond donors3
    HBond acceptors7
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084992.