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canSAR661062
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)O)cc1.O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3
    InChI
    InChI=1S/C23H36N2O6S.C7H8O3S/c26-21(15-25-5-7-32(27,28)8-6-25)24-14-16-1-3-22(4-2-16)29-23(31-30-22)19-10-17-9-18(12-19)13-20(23)11-17;1-6-2-4-7(5-3-6)11(8,9)10/h16-20H,1-15H2,(H,24,26);2-5H,1H3,(H,8,9,10)/t16-,17?,18?,19?,20?,22+,23-;
    MOLECULAR FORMULA
    C30H44N2O9S2
    CROSS REFERENCES
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    canSAR661062

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 640.25
    AlogP 3.09
    HBond donors 2
    HBond acceptors 11
    Atoms 87
    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 canSAR661062.