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canSAR1068654
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(COS(N)(=O)=O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](OS(N)(=O)=O)C(C)(C)C5CC[C@]43C)C12
    InChI
    InChI=1S/C30H52N2O6S2/c1-19(2)20-10-15-30(18-37-39(31,33)34)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(38-40(32,35)36)26(3,4)22(27)11-14-29(23,28)7/h20-25H,1,8-18H2,2-7H3,(H2,31,33,34)(H2,32,35,36)/t20-,21?,22?,23+,24-,25?,27-,28+,29+,30+/m0/s1
    MOLECULAR FORMULA
    C30H52N2O6S2
    CROSS REFERENCES
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    canSAR1068654

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.33
    AlogP 5.45
    HBond donors 4
    HBond acceptors 8
    Atoms 92
    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 canSAR1068654.