1125598 logo
canSAR1125598
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)COS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O
    InChI
    InChI=1S/C31H42O8S/c1-18-14-20(3)28(21(4)15-18)40(35,36)38-17-31(7)26-11-8-19(2)24(30(26,6)13-12-27(31)33)10-9-23-25(39-22(5)32)16-37-29(23)34/h9,14-15,24-27,33H,2,8,10-13,16-17H2,1,3-7H3/b23-9+/t24-,25-,26+,27-,30+,31+/m1/s1
    MOLECULAR FORMULA
    C31H42O8S
    CROSS REFERENCES
    1125598 logo

    canSAR1125598

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 574.26
    AlogP 4.87
    HBond donors 1
    HBond acceptors 8
    Atoms 82
    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 canSAR1125598.