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canSAR112521
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NAMES
    SMILES
    CCOc1cc2nc(CCl)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
    InChI
    InChI=1S/C23H23ClN4O2S/c1-4-29-20-10-17-18(11-21(20)30-5-2)27-22(12-24)28-23(17)26-16-8-6-7-15(9-16)19-13-31-14(3)25-19/h6-11,13H,4-5,12H2,1-3H3,(H,26,27,28)
    MOLECULAR FORMULA
    C23H23ClN4O2S
    CROSS REFERENCES
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    canSAR112521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.12
    AlogP 6.34
    HBond donors 1
    HBond acceptors 6
    Atoms 54
    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 canSAR112521.