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canSAR1204235
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NAMES
    SMILES
    C=C1CCC[C@@H]2Nc3ccc(OC)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C22H25ClN2O3S/c1-15-4-3-5-21-22(15,19-14-17(28-2)8-11-20(19)25-21)12-13-24-29(26,27)18-9-6-16(23)7-10-18/h6-11,14,21,24-25H,1,3-5,12-13H2,2H3/t21-,22-/m0/s1
    MOLECULAR FORMULA
    C22H25ClN2O3S
    CROSS REFERENCES
    1204235 logo

    canSAR1204235

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.13
    AlogP 4.49
    HBond donors 2
    HBond acceptors 5
    Atoms 54
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1204235.