1863453 logo
canSAR1863453
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(CCCc1ccoc1)COS(=O)(=O)[O-]
    InChI
    InChI=1S/C25H40O5S/c1-19-7-5-10-23-24(19,3)14-11-20(2)25(23,4)15-12-21(18-30-31(26,27)28)8-6-9-22-13-16-29-17-22/h13,16-17,20-21,23H,1,5-12,14-15,18H2,2-4H3,(H,26,27,28)/p-1/t20-,21?,23+,24-,25+/m1/s1
    MOLECULAR FORMULA
    C25H39O5S-
    CROSS REFERENCES
    1863453 logo

    canSAR1863453

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.25
    AlogP 6.27
    HBond donors 0
    HBond acceptors 5
    Atoms 70
    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 canSAR1863453.