1063219 logo
canSAR1063219
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCC(=O)N[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5
    InChI
    InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
    MOLECULAR FORMULA
    C28H31N3O3
    CROSS REFERENCES
    1063219 logo

    canSAR1063219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.24
    AlogP 4.11
    HBond donors 3
    HBond acceptors 6
    Atoms 65
    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 canSAR1063219.