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EC number: 201-627-4
CAS number: 85-73-4
The prediction was based on dataset comprised from the following descriptors: "Gene mutation"Estimation method: Taking highest mode value from the 5 nearest neighboursDomain logical expression:Result: In Domain((("a" and "b" ) and ("c" and ( not "d") ) ) and ("e" and "f" ) ) Domain logical expression index: "a"Similarity boundary:Target: C(=O)(O)c1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NC=CS3)cc2)cccc1Threshold=50%, Dice(Atom pairs)Domain logical expression index: "b"Similarity boundary:Target: C(=O)(O)c1c(C(=O)Nc2ccc(S(=O)(=O)NC3=NC=CS3)cc2)cccc1Threshold=80%, Dice(Atom pairs)Domain logical expression index: "c"Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASISDomain logical expression index: "d"Referential boundary: The target chemical should be classified as Acetoxy compounds OR alpha,beta - unsaturated functional compounds OR Azo compounds OR Epoxides, Aziridines OR MA: Michael addition on conjugated systems with electron withdrawing group OR MA: Nitrenium and/or Carbenium ion formation OR MA: Nitrenium ion and/or Acyl ion formation OR MA: Nitrenium ion formation OR MA: Nitrosonium ion formation OR MA: Quinone type compounds OR MA: Radical mechanism by ROS formation OR MA: Ring opening SN2 reaction OR MA: ROS formation after GSH depletion OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Radical OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 OR Nitro compounds OR Quinoneimine Derivatives OR Ureides and Other Urea Derivatives by DNA binding by OASISDomain logical expression index: "e"Parametric boundary:The target chemical should have a value of log Kow which is >= 2.51 Domain logical expression index: "f"Parametric boundary:The target chemical should have a value of log Kow which is <= 3.27
Based on the prediction for in-vitro bacterial reverse mutation assay
test on Salmonella typhimurium strain TA 100 without S9 metabolic
activation it was estimated that phthalylsulfathiazole exhibit negative
gene mutation effect.
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