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canSAR172669
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NAMES
    SMILES
    CC1(C)SCCCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)[C@H]1C(=O)NO
    InChI
    InChI=1S/C17H21N3O4S3/c1-17(2)15(16(21)19-22)20(10-5-11-25-17)27(23,24)14-8-7-13(26-14)12-6-3-4-9-18-12/h3-4,6-9,15,22H,5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
    MOLECULAR FORMULA
    C17H21N3O4S3
    CROSS REFERENCES
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    canSAR172669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.07
    AlogP 2.59
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    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 canSAR172669.