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canSAR546716
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NAMES
    SMILES
    COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc(OS(C)(=O)=O)cc1)CC2.Cl
    InChI
    InChI=1S/C25H34N2O6S.ClH/c1-26(14-10-19-6-8-22(9-7-19)33-34(4,29)30)12-5-13-27-15-11-20-16-23(31-2)24(32-3)17-21(20)18-25(27)28;/h6-9,16-17H,5,10-15,18H2,1-4H3;1H
    MOLECULAR FORMULA
    C25H35ClN2O6S
    CROSS REFERENCES
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    canSAR546716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.19
    AlogP 2.96
    HBond donors 0
    HBond acceptors 8
    Atoms 70
    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 canSAR546716.