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canSAR1150542
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NAMES
    SMILES
    CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(OC)cc3)cs2)n1)C(=O)O
    InChI
    InChI=1S/C22H25ClN4O3S2/c1-3-4-5-6-7-17(20(28)29)32-22-25-18(23)12-19(27-22)26-21-24-16(13-31-21)14-8-10-15(30-2)11-9-14/h8-13,17H,3-7H2,1-2H3,(H,28,29)(H,24,25,26,27)
    MOLECULAR FORMULA
    C22H25ClN4O3S2
    CROSS REFERENCES
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    canSAR1150542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.11
    AlogP 6.52
    HBond donors 2
    HBond acceptors 7
    Atoms 57
    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 canSAR1150542.