1401168 logo
canSAR1401168
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(CN2CCN(C(c3ccc(OC)cc3)C(O)c3ccccc3)CC2)cc1.Cl
    InChI
    InChI=1S/C27H32N2O3.ClH/c1-31-24-12-8-21(9-13-24)20-28-16-18-29(19-17-28)26(22-10-14-25(32-2)15-11-22)27(30)23-6-4-3-5-7-23;/h3-15,26-27,30H,16-20H2,1-2H3;1H
    MOLECULAR FORMULA
    C27H33ClN2O3
    CROSS REFERENCES
    1401168 logo

    canSAR1401168

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.22
    AlogP 4.72
    HBond donors 1
    HBond acceptors 5
    Atoms 66
    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 canSAR1401168.