561160 logo
canSAR561160
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc2cc(C(=O)CCC3CC[N+](C)(CC#N)CC3)sc2cc1OC
    InChI
    InChI=1S/C21H27N2O3S/c1-23(11-8-22)9-6-15(7-10-23)4-5-17(24)21-13-16-12-18(25-2)19(26-3)14-20(16)27-21/h12-15H,4-7,9-11H2,1-3H3/q+1
    MOLECULAR FORMULA
    C21H27N2O3S+
    CROSS REFERENCES
    561160 logo

    canSAR561160

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.17
    AlogP 4.26
    HBond donors 0
    HBond acceptors 5
    Atoms 54
    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 canSAR561160.