KMID : 1059519960400120711
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Journal of the Korean Chemical Society 1996 Volume.40 No. 12 p.711 ~ p.718
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Structure-Activity Relationship. A Theoretical Study of 1-phenylpyrrolidine-2,5-diones on the Antifungal Activities
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Park Seong-Sik
Choi Sang-Tae Kim Sang-Yun Yoh Soo-Dong
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Abstract
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The relationship between chemical structure and antifungal activity of benzene ring substituents of 1-phenylpyrrolidine-2,5-diones is studied by testing of model compounds and use of conformational data. The analysis revealed a number of structural features as essential for the antifungal effect: (1) the presence of an intact-NCO group and benzene moiety; (2) the distance between para substituents and the N atom within the 5.318¡5.320 ¡Ê range; (3) the distance between substituent X3 and X5 in the interval 5.437¡6.072 ¡Ê for the active analogues. And other parameters were discussed.
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KEYWORD
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