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canSAR838945
FEATURES
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NAMES
    SMILES
    CC(CN)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1
    InChI
    InChI=1S/C20H21N3O5S2/c1-13(12-21)27-16-9-14(19(24)23-20-22-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13H,12,21H2,1-2H3,(H,22,23,24)
    MOLECULAR FORMULA
    C20H21N3O5S2
    CROSS REFERENCES
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    canSAR838945

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.09
    AlogP 3.32
    HBond donors 3
    HBond acceptors 8
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR838945.