1201843 logo
canSAR1201843
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)c2ccccc2)[C@@H]1C/C=C1\C=COC1=O
    InChI
    InChI=1S/C27H32O5/c1-18-9-12-22-26(2,21(18)11-10-20-14-16-31-24(20)29)15-13-23(28)27(22,3)17-32-25(30)19-7-5-4-6-8-19/h4-8,10,14,16,21-23,28H,1,9,11-13,15,17H2,2-3H3/b20-10+/t21-,22+,23-,26+,27+/m1/s1
    MOLECULAR FORMULA
    C27H32O5
    CROSS REFERENCES
    1201843 logo

    canSAR1201843

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.22
    AlogP 4.98
    HBond donors 1
    HBond acceptors 5
    Atoms 64
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1201843.