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Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study. Cynthia D Selassie et al J. Med. Chem. 48, 7234-42, (2005)
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Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents. Stanislav Gobec et al Bioorg. Med. Chem. Lett. 15, 5170-5, (2005)
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UDP-glucuronosyltransferases and clinical drug-drug interactions. Tony K L Kiang et al Pharmacol. Ther. 106, 97-132, (2005)
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The geminal dimethyl analogue of Flurbiprofen as a novel Abeta42 inhibitor and potential Alzheimer's disease modifying agent. Nicholas Stock et al Bioorg. Med. Chem. Lett. 16, 2219-23, (2006)
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Synthesis, hydrolyses and dermal delivery of N-alkyl-N-alkyloxycarbonylaminomethyl (NANAOCAM) derivatives of phenol, imide and thiol containing drugs. Susruta Majumdar et al Bioorg. Med. Chem. Lett. 16, 3590-4, (2006)
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Synthesis and anti-inflammatory activity of 3-(4'-geranyloxy-3'-methoxyphenyl)-2-trans propenoic acid and its ester derivatives. Francesco Epifano et al Bioorg. Med. Chem. Lett. 17, 5709-14, (2007)
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Synthesis and in vivo evaluation of non-hepatotoxic acetaminophen analogs. Anthony L Vaccarino et al Bioorg. Med. Chem. 15, 2206-15, (2007)
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QSAR study on permeability of hydrophobic compounds with artificial membranes. Masaaki Fujikawa et al Bioorg. Med. Chem. 15, 3756-67, (2007)
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Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds. Bram Baert et al Bioorg. Med. Chem. 15, 6943-55, (2007)
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Hologram QSAR model for the prediction of human oral bioavailability. Tiago L Moda et al Bioorg. Med. Chem. 15, 7738-45, (2007)
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Evaluation of a published in silico model and construction of a novel Bayesian model for predicting phospholipidosis inducing potential. Dennis J Pelletier et al J. Chem. Inf. Model. 47, 1196-205, (2007)
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Antimalarial dual drugs based on potent inhibitors of glutathione reductase from Plasmodium falciparum. Wolfgang Friebolin et al J. Med. Chem. 51, 1260-77, (2008)
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Microsomal prostaglandin E2 synthase-1 (mPGES-1): a novel anti-inflammatory therapeutic target. Richard W Friesen et al J. Med. Chem. 51, 4059-67, (2008)
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Determination of log D via automated microfluidic liquid-liquid extraction. Muhammad Alimuddin et al J. Med. Chem. 51, 5140-2, (2008)
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Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1. Gustav Ahlin et al J. Med. Chem. 51, 5932-42, (2008)
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Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. Lourdes Santana et al J. Med. Chem. 51, 6740-51, (2008)
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New analgesics synthetically derived from the paracetamol metabolite N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide. Christian Sinning et al J. Med. Chem. 51, 7800-5, (2008)
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Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Alessio Innocenti et al Bioorg. Med. Chem. Lett. 18, 3593-6, (2008)
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Towards the first inhibitors of trihydroxynaphthalene reductase from Curvularia lunata: synthesis of artificial substrate, homology modelling and initial screening. Mojca Brunskole et al Bioorg. Med. Chem. 16, 5881-9, (2008)
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Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Alessio Innocenti et al Bioorg. Med. Chem. 16, 7424-8, (2008)
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Synthesis of new 1-phenyl-3-{4-[(2E)-3-phenylprop-2-enoyl]phenyl}-thiourea and urea derivatives with anti-nociceptive activity. Lorena dos Santos et al Bioorg. Med. Chem. 16, 8526-34, (2008)
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Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. R Scott Obach et al Drug Metab. Dispos. 36, 1385-405, (2008)
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Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models. Naomi L Kruhlak et al Toxicol. Mech. Methods 18, 217-27, (2008)
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Physicochemical determinants of human renal clearance. Manthena V S Varma et al J. Med. Chem. 52, 4844-52, (2009)
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Design, synthesis and analgesic properties of novel conformationally-restricted N-acylhydrazones (NAH). Arthur E Kümmerle et al Bioorg. Med. Chem. Lett. 19, 4963-6, (2009)
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Synthesis, biological evaluation and docking studies of novel benzopyranone congeners for their expected activity as anti-inflammatory, analgesic and antipyretic agents. Amal A M Eissa et al Bioorg. Med. Chem. 17, 5059-70, (2009)
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First-principle, structure-based prediction of hepatic metabolic clearance values in human. Haiyan Li et al Eur. J. Med. Chem. 44, 1600-6, (2009)
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Synthesis and pharmacological evaluation of a novel series of 5-(substituted)aryl-3-(3-coumarinyl)-1-phenyl-2-pyrazolines as novel anti-inflammatory and analgesic agents. Suresh Khode et al Eur. J. Med. Chem. 44, 1682-8, (2009)
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Synthesis, pharmacological screening, quantum chemical and in vitro permeability studies of N-Mannich bases of benzimidazoles through bovine cornea. E Philip Jesudason et al Eur. J. Med. Chem. 44, 2307-12, (2009)
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Synthesis and pharmacological evaluation of N-phenyl-acetamide sulfonamides designed as novel non-hepatotoxic analgesic candidates. Maria Letícia de Castro Barbosa et al Eur. J. Med. Chem. 44, 3612-20, (2009)
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Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Elena Dreassi et al Eur. J. Med. Chem. 44, 3712-7, (2009)
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Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data. Xiaofan Sui et al Eur. J. Med. Chem. 44, 4455-60, (2009)
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Antinociceptive properties of caffeic acid derivatives in mice. Fátima de Campos Buzzi et al Eur. J. Med. Chem. 44, 4596-602, (2009)
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Surfactants, aromatic and isoprenoid compounds, and fatty acid biosynthesis inhibitors suppress Staphylococcus aureus production of toxic shock syndrome toxin 1. Peter J McNamara et al Antimicrob. Agents Chemother. 53, 1898-906, (2009)
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Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination. Manthena V S Varma et al J. Med. Chem. 53, 1098-108, (2010)
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Synthesis and evaluation of paracetamol esters as novel fatty acid amide hydrolase inhibitors. Valentina Onnis et al J. Med. Chem. 53, 2286-98, (2010)
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How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? Alex Avdeef et al J. Med. Chem. 53, 3566-84, (2010)
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Preliminary studies of 3,4-dichloroaniline amides as antiparasitic agents: structure-activity analysis of a compound library in vitro against Trichomonas vaginalis. Padraick J Dornbush et al Bioorg. Med. Chem. Lett. 20, 5299-301, (2010)
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A practical deuterium-free NMR method for the rapid determination of 1-octanol/water partition coefficients of pharmaceutical agents. Huaping Mo et al Bioorg. Med. Chem. Lett. 20, 6712-5, (2010)
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Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species. Francisco J Prado-Prado et al Bioorg. Med. Chem. 18, 2225-31, (2010)
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Developing structure-activity relationships for the prediction of hepatotoxicity. Nigel Greene et al Chem. Res. Toxicol. 23, 1215-22, (2010)
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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Denis Fourches et al Chem. Res. Toxicol. 23, 171-83, (2010)
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Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays. Martha C Rosales-Hernández et al Eur. J. Med. Chem. 45, 4845-55, (2010)
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Neural computational prediction of oral drug absorption based on CODES 2D descriptors. A Guerra et al Eur. J. Med. Chem. 45, 930-40, (2010)
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The Japanese toxicogenomics project: application of toxicogenomics. Takeki Uehara et al Mol. Nutr. Food. Res. 54, 218-27, (2010)
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A predictive ligand-based Bayesian model for human drug-induced liver injury. Sean Ekins et al Drug Metab. Dispos. 38, 2302-8, (2010)
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N,N'-Dialkylaminoalkylcarbonyl (DAAC) prodrugs and aminoalkylcarbonyl (AAC) prodrugs of 4-hydroxyacetanilide and naltrexone with improved skin permeation properties. H Devarajan-Ketha et al Bioorg. Med. Chem. Lett. 21, 4078-82, (2011)
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QSAR-based permeability model for drug-like compounds. Rafael Gozalbes et al Bioorg. Med. Chem. 19, 2615-24, (2011)
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Prediction of drug intestinal absorption by new linear and non-linear QSPR. Alan Talevi et al Eur. J. Med. Chem. 46, 218-28, (2011)
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Translating Clinical Findings into Knowledge in Drug Safety Evaluation - Drug Induced Liver Injury Prediction System (DILIps). Zhichao Liu et al PLoS Comput. Biol. 7, e1002310, (2011)
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Fragment-based discovery of bromodomain inhibitors part 1: inhibitor binding modes and implications for lead discovery. Chun-Wa Chung et al J. Med. Chem. 55, 576-86, (2012)
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Merck 14,47
Beil. 13,IV,1091
Aldrich MSDS 1, 6:B / Corp MSDS 1 (1), 11:A / FT-IR 1 (2), 358:B / FT-IR 2 (2), 2969:C / FT-NMR 1 (2), 1365:B / IR-Spectra (2), 934:H / IR-Spectra (3), 1068:H / NMR-Reference 2 (2), 337:C / RegBook 1 (2), 1997:M / Sax 6, 1555 / Sigma FT-IR 1 (2), 238:A / Structure Index 1, 319:D:5