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canSAR660040
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)O)cc1.NCCC(=O)NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3
    InChI
    InChI=1S/C20H32N2O4.C7H8O3S/c21-6-3-18(23)22-12-13-1-4-19(5-2-13)24-20(26-25-19)16-8-14-7-15(10-16)11-17(20)9-14;1-6-2-4-7(5-3-6)11(8,9)10/h13-17H,1-12,21H2,(H,22,23);2-5H,1H3,(H,8,9,10)/t13-,14?,15?,16?,17?,19+,20-;
    MOLECULAR FORMULA
    C27H40N2O7S
    CROSS REFERENCES
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    canSAR660040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.26
    AlogP 3.71
    HBond donors 4
    HBond acceptors 9
    Atoms 77
    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 canSAR660040.