790470 logo
canSAR790470
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C(/C=C/CCCCC)C(=O)[C@@]21C
    InChI
    InChI=1S/C22H30O4/c1-5-6-7-8-9-10-16-13-22(25)14(2)11-12-17-15(3)20(24)26-19(17)21(22,4)18(16)23/h9-10,13-14,17,19,25H,3,5-8,11-12H2,1-2,4H3/b10-9+/t14-,17-,19+,21-,22+/m0/s1
    MOLECULAR FORMULA
    C22H30O4
    CROSS REFERENCES
    790470 logo

    canSAR790470

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.21
    AlogP 3.90
    HBond donors 1
    HBond acceptors 4
    Atoms 56
    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 canSAR790470.