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canSAR931082
FEATURES
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NAMES
    SMILES
    C[S+]([O-])C[C@H]1[C@H]2CC[C@@]3(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]3C2)[C@@H]1O
    InChI
    InChI=1S/C21H34O4S/c1-19-7-4-8-20(2,18(23)24)15(19)6-10-21-9-5-13(11-16(19)21)14(17(21)22)12-26(3)25/h13-17,22H,4-12H2,1-3H3,(H,23,24)/t13-,14-,15-,16-,17+,19+,20-,21-,26?/m0/s1
    MOLECULAR FORMULA
    C21H34O4S
    CROSS REFERENCES
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    canSAR931082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.22
    AlogP 3.45
    HBond donors 2
    HBond acceptors 4
    Atoms 60
    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 canSAR931082.