840043 logo
canSAR840043
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C1C(=O)C2=C[C@H]1C[C@H](OC(C)=O)C(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]2O
    InChI
    InChI=1S/C22H30O5/c1-12-14-9-15(19(12)25)16(24)11-18-21(3,4)7-6-8-22(18,5)20(26)17(10-14)27-13(2)23/h9,14,16-18,24H,1,6-8,10-11H2,2-5H3/t14-,16+,17-,18+,22+/m0/s1
    MOLECULAR FORMULA
    C22H30O5
    CROSS REFERENCES
    840043 logo

    canSAR840043

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.21
    AlogP 3.16
    HBond donors 1
    HBond acceptors 5
    Atoms 57
    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 canSAR840043.