646014 logo
canSAR646014
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[N+](C)(CC)CC(C)(C)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)C[N+](C)(CC)CC)cc1
    InChI
    InChI=1S/C30H50N2O2/c1-11-31(9,12-2)23-29(5,6)27(33)21-19-25-15-17-26(18-16-25)20-22-28(34)30(7,8)24-32(10,13-3)14-4/h15-22H,11-14,23-24H2,1-10H3/q+2/b21-19+,22-20+
    MOLECULAR FORMULA
    C30H50N2O2+2
    CROSS REFERENCES
    646014 logo

    canSAR646014

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.39
    AlogP 5.88
    HBond donors 0
    HBond acceptors 4
    Atoms 84
    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 canSAR646014.