84546 logo
canSAR84546
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC1CN2CCC1CC2[C@H](O)c1cc(-c2ccc3c(c2)OCO3)nc2ccc(OC)cc12
    InChI
    InChI=1S/C27H30N2O4/c1-3-16-14-29-9-8-17(16)10-24(29)27(30)21-13-23(18-4-7-25-26(11-18)33-15-32-25)28-22-6-5-19(31-2)12-20(21)22/h4-7,11-13,16-17,24,27,30H,3,8-10,14-15H2,1-2H3/t16?,17?,24?,27-/m1/s1
    MOLECULAR FORMULA
    C27H30N2O4
    CROSS REFERENCES
    84546 logo

    canSAR84546

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.22
    AlogP 4.79
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR84546.