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canSAR1067445
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NAMES
    SMILES
    COc1ccc(CN([C@H](CC(C)C)C(=O)N(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
    InChI
    InChI=1S/C22H29ClN2O4S/c1-16(2)14-21(22(26)24(3)4)25(15-17-6-10-19(29-5)11-7-17)30(27,28)20-12-8-18(23)9-13-20/h6-13,16,21H,14-15H2,1-5H3/t21-/m1/s1
    MOLECULAR FORMULA
    C22H29ClN2O4S
    CROSS REFERENCES
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    canSAR1067445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.15
    AlogP 4.04
    HBond donors 0
    HBond acceptors 6
    Atoms 59
    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 canSAR1067445.