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- W2034266054 abstract "The lipophilicity parameters of fourteen new antiproliferative 8-10-substituted 6H-quinobenzothiazines were determined theoretically using 9 computational methods and experimentally by reversed-phase thin-layer chromatography on the RP-18 silica plates with acetone-aqueous TRIS buffer as the mobile phase. The experimental R M values were linearly dependent on the concentration of acetone in the mobile phase and extrapolated to 0% of acetone that produced the lipophilicity parameter R M0. The parameter R M0 and specific hydrophobic surface area b were significantly intercorrelated showing congeneric classes of quinobenzothiazines. The parameter R M0 was correlated with molecular descriptors (molar mass, molar volume, and molar refractivity), predicted and tested biological activities, and was further transformed into parameter log PTLC by use of the calibration curve. The theoretical log P calcd values differed depending on the calculating programs and were compared with experimental log PTLC values showing different prediction powers of calculated programs. Tetracyclic 6H-quinobenzothiazine was as lipophilic as tricyclic 10H-phenothiazine. The determined parameters are discussed in the terms of the structure-lipophilicity relationships." @default.
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- W2034266054 date "2014-03-11" @default.
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- W2034266054 title "DETERMINATION OF THE LIPOPHILICITY PARAMETERS OF NEW ANTIPROLIFERATIVE 8-10-SUBSTITUTED QUINOBENZOTHIAZINES BY COMPUTATIONAL METHODS AND RP TLC" @default.
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- W2034266054 doi "https://doi.org/10.1080/10826076.2013.789805" @default.
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