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canSAR547004
FEATURES
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NAMES
    SMILES
    CC(C)(N)CNC(=O)CC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3.Cc1ccc(S(=O)(=O)O)cc1
    InChI
    InChI=1S/C23H38N2O4.C7H8O3S/c1-21(2,24)14-25-20(26)4-3-15-5-7-22(8-6-15)27-23(29-28-22)18-10-16-9-17(12-18)13-19(23)11-16;1-6-2-4-7(5-3-6)11(8,9)10/h15-19H,3-14,24H2,1-2H3,(H,25,26);2-5H,1H3,(H,8,9,10)/t15-,16?,17?,18?,19?,22+,23-;
    MOLECULAR FORMULA
    C30H46N2O7S
    CROSS REFERENCES
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    canSAR547004

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.30
    AlogP 4.88
    HBond donors 4
    HBond acceptors 9
    Atoms 86
    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 canSAR547004.