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Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). Giulia Caron et al J. Med. Chem. 48, 3269-79, (2005)
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In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. Giorgio Ottaviani et al J. Med. Chem. 50, 742-8, (2007)
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Toward prediction of alkane/water partition coefficients. Anita Toulmin et al J. Med. Chem. 51, 3720-30, (2008)
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The many roles for fluorine in medicinal chemistry. William K Hagmann et al J. Med. Chem. 51, 4359-69, (2008)
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Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century. Paul M O'Neill et al J. Med. Chem. 52, 1408-15, (2009)
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Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable "back-up" compound for N-tert-butyl isoquine. Paul M O'Neill et al J. Med. Chem. 52, 1828-44, (2009)
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QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT). Sylvie Mavel et al Bioorg. Med. Chem. 20, 1388-95, (2012)
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Temperature dependence of charge separation and recombination in porphyrin oligomer-fullerene donor-acceptor systems. Kahnt A J. Am. Chem. Soc. 133(25), 9863-71, (2011)
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Merck 14,7970
Beil. 20,V,5,160
Fieser 1,958 / Fieser 2,349 / Fieser 4,414 / Fieser 6,497 / Fieser 11,448 / Fieser 12,416
Aldrich MSDS 1, 1559:C / Arctander, 2776 / Corp MSDS 1 (2), 2989:D / FT-IR 1 (2), 729:A / FT-IR 2 (3), 3698:A / FT-NMR 1 (3), 233:A / Fenaroli, 708 / IR-Spectra (2), 1138:A / IR-Spectra (3), 1306:A / NMR-Reference 2 (2), 611:A / RegBook 76 (2), 2489:A / RegBook 1 (2), 2489:A / Sax 6, 2325 / Structure Index 1, 393:A:1 / Vapor Phase 3, 1513:A