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canSAR1013682
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NAMES
    SMILES
    CCCCOc1ccc(C(CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
    InChI
    InChI=1S/C36H39N3O6S/c1-4-5-20-44-32-15-9-27(10-16-32)35(24-31(40)14-7-26-6-8-29-23-33(43-3)17-11-28(29)22-26)37-30-12-18-34(19-13-30)46(41,42)39-36-21-25(2)45-38-36/h6,8-13,15-19,21-23,35,37H,4-5,7,14,20,24H2,1-3H3,(H,38,39)
    MOLECULAR FORMULA
    C36H39N3O6S
    CROSS REFERENCES
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    canSAR1013682

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 641.26
    AlogP 7.87
    HBond donors 2
    HBond acceptors 9
    Atoms 85
    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 canSAR1013682.