canSAR859387
FEATURES
Loading...
NAMES
    SMILES
    C[C@H](/C=C/c1cccc[n+]1C)[C@H]1CCC2C3=CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C.[I-]
    InChI
    InChI=1S/C29H42NO.HI/c1-20(8-10-22-7-5-6-18-30(22)4)25-12-13-26-24-11-9-21-19-23(31)14-16-28(21,2)27(24)15-17-29(25,26)3;/h5-8,10-11,18,20-21,23,25-27,31H,9,12-17,19H2,1-4H3;1H/q+1;/p-1/b10-8+;/t20-,21?,23+,25-,26?,27?,28+,29-;/m1./s1
    MOLECULAR FORMULA
    C29H42INO
    CROSS REFERENCES
    Loading...
    canSAR859387
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight547.23
    AlogP3.10
    HBond donors1
    HBond acceptors2
    Atoms74
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859387.