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canSAR1027150
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NAMES
    SMILES
    COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3Cl)n2)cc1
    InChI
    InChI=1S/C22H22ClN3O4S2/c1-30-16-11-9-15(10-12-16)18-14-31-22(24-18)25-21(27)19-7-4-5-13-26(19)32(28,29)20-8-3-2-6-17(20)23/h2-3,6,8-12,14,19H,4-5,7,13H2,1H3,(H,24,25,27)/t19-/m1/s1
    MOLECULAR FORMULA
    C22H22ClN3O4S2
    CROSS REFERENCES
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    canSAR1027150

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.07
    AlogP 4.65
    HBond donors 1
    HBond acceptors 7
    Atoms 54
    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 canSAR1027150.