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canSAR782555
FEATURES
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NAMES
    SMILES
    CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)N(C)C)CC[C@@H]12
    InChI
    InChI=1S/C22H34N2O6S2/c1-5-14-12-18-15(13-20(14)29-31(23,25)26)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)30-32(27,28)24(3)4/h12-13,16-17,19,21H,5-11H2,1-4H3,(H2,23,25,26)/t16-,17+,19-,21-,22-/m0/s1
    MOLECULAR FORMULA
    C22H34N2O6S2
    CROSS REFERENCES
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    canSAR782555

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.19
    AlogP 2.88
    HBond donors 2
    HBond acceptors 8
    Atoms 66
    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 canSAR782555.