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canSAR1646443
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NAMES
    SMILES
    C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
    InChI
    InChI=1S/C30H35Cl2N3O5S/c1-20-16-35(21(2)19-36)30(37)15-23-14-24(33-41(38,39)25-7-5-4-6-8-25)10-12-28(23)40-29(20)18-34(3)17-22-9-11-26(31)27(32)13-22/h4-14,20-21,29,33,36H,15-19H2,1-3H3/t20-,21-,29+/m0/s1
    MOLECULAR FORMULA
    C30H35Cl2N3O5S
    CROSS REFERENCES
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    canSAR1646443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 619.17
    AlogP 5.08
    HBond donors 2
    HBond acceptors 8
    Atoms 76
    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 canSAR1646443.