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canSAR112551
FEATURES
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NAMES
    SMILES
    Cc1cc(SC2=C(O)OC(CCc3ccc(N)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCN(C)CC1
    InChI
    InChI=1S/C32H45N3O6S2/c1-21(2)32(13-12-23-8-10-24(33)11-9-23)20-26(36)29(30(37)40-32)42-28-18-22(3)27(19-25(28)31(4,5)6)41-43(38,39)35-16-14-34(7)15-17-35/h8-11,18-19,21,37H,12-17,20,33H2,1-7H3
    MOLECULAR FORMULA
    C32H45N3O6S2
    CROSS REFERENCES
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    canSAR112551

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.27
    AlogP 5.58
    HBond donors 3
    HBond acceptors 9
    Atoms 88
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR112551.