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canSAR660856
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O=C(CN1CCNCC1)NC[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3
    InChI
    InChI=1S/C23H37N3O4.2C7H8O3S/c27-21(15-26-7-5-24-6-8-26)25-14-16-1-3-22(4-2-16)28-23(30-29-22)19-10-17-9-18(12-19)13-20(23)11-17;2*1-6-2-4-7(5-3-6)11(8,9)10/h16-20,24H,1-15H2,(H,25,27);2*2-5H,1H3,(H,8,9,10)/t16-,17?,18?,19?,20?,22+,23-;;
    MOLECULAR FORMULA
    C37H53N3O10S2
    CROSS REFERENCES
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    canSAR660856

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 763.32
    AlogP 4.51
    HBond donors 4
    HBond acceptors 13
    Atoms 105
    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 canSAR660856.