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canSAR671134
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NAMES
    SMILES
    COc1ccc(-c2nc(SCCCOc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
    InChI
    InChI=1S/C28H26ClNO6S2/c1-33-20-8-4-18(5-9-20)26-27(19-6-10-21(34-2)11-7-19)38-28(30-26)37-15-3-14-35-24-13-12-22(16-23(24)29)36-17-25(31)32/h4-13,16H,3,14-15,17H2,1-2H3,(H,31,32)
    MOLECULAR FORMULA
    C28H26ClNO6S2
    CROSS REFERENCES
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    canSAR671134

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.09
    AlogP 7.17
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    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 canSAR671134.