660929 logo
canSAR660929
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(C)CCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCC(C)(C)C)cc2)cc1
    InChI
    InChI=1S/C34H58N2/c1-33(2,3)23-17-31-19-27-35(28-20-31)25-15-13-11-9-7-8-10-12-14-16-26-36-29-21-32(22-30-36)18-24-34(4,5)6/h19-22,27-30H,7-18,23-26H2,1-6H3/q+2
    MOLECULAR FORMULA
    C34H58N2+2
    CROSS REFERENCES
    660929 logo

    canSAR660929

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.46
    AlogP 8.82
    HBond donors 0
    HBond acceptors 2
    Atoms 94
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR660929.