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canSAR840268
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NAMES
    SMILES
    C[C@@H]1CCC2[C@@](C)(C(=O)Sc3ccccc3)O[C@@H]3O[C@]4(C)CCC1[C@@]23OO4
    InChI
    InChI=1S/C21H26O5S/c1-13-9-10-16-20(3,17(22)27-14-7-5-4-6-8-14)24-18-21(16)15(13)11-12-19(2,23-18)25-26-21/h4-8,13,15-16,18H,9-12H2,1-3H3/t13-,15?,16?,18+,19-,20+,21-/m1/s1
    MOLECULAR FORMULA
    C21H26O5S
    CROSS REFERENCES
    840268 logo

    canSAR840268

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.15
    AlogP 4.31
    HBond donors 0
    HBond acceptors 5
    Atoms 53
    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 canSAR840268.