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qsar_gucas: 金币+10, ★★★★★最佳答案 2014-11-25 20:11:44
感谢参与，应助指数 +1
qsar_gucas: 金币+10, ★★★★★最佳答案 2014-11-25 20:11:44
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查询结果：共查到652个化合物(查询结果仅供参考) 1 . 1-(3-methoxybenzyl)-3-(4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid 相似度:68.4% Bioorganic & Medicinal Chemistry 2014 22 2919-2938 Identification of trisubstituted-pyrazol carboxamide analogs as novel and potent antagonists of farnesoid X receptor Donna D. Yu, Wenwei Lin, Barry M. Forman, Taosheng Chen Structure 13C NMR 碳谱模拟图 2 . 1-(4-Methoxyphenyl)-9H-pyrido [3,4-b] indole C18H14N2O 相似度:68.4% Natural Product Communications 2010 5 1591 - 1596 Synthesis and Bioactivity of -Carboline Derivatives Shengkun Li , Bing Yang, Qianliang Zhang, Jiwen Zhang*, JunruWang and Wenjun Wu Structure 13C NMR 碳谱模拟图 3 . 3-(3-methoxybenzylideneamino)-2-(3-methoxyphenyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile C21H17N5O2 相似度:66.6% Tetrahedron 2013 69 4199-4204 Synthesis of 3-(benzylideneamino)-2-phenyl-5H-imidazo[1,2-b]pyrazole-7-carbonitriles via a four-component condensation reaction Abbas Rahmati, Miranda Eskandari-Vashareh, Meysam Alizadeh-Kouzehrash Structure 13C NMR 碳谱模拟图 4 . 1-(3-methoxybenzyl)-4-(1-(4-methoxybenzyl)-5-amino-1H-imidazol-4-yl)-5-imino-1H-imidazol-2(5H)-one C22H22N6O3 相似度:65% Bioorganic & Medicinal Chemistry 2013 21 618-631 Structure-based drug design and potent anti-cancer activity of tricyclic 5:7:5-fused diimidazo[4,5-d:4′,5′-f][1,3]diazepines Atul Kondaskar, Shilpi Kondaskar, James C. Fishbein, Brandon A. Carter-Cooper, Rena G. Lapidus, Mariola Sadowska, Martin J. Edelman, Ramachandra S. Hosmane Structure 13C NMR 碳谱模拟图 5 . 3-(3-methoxybenzyl)-7-(4-methoxybenzyl)-3,7-dihydro-2H-diimidazo[4,5-d:4',5'-f][1,3]diazepin-2-one C23H20N6O3 相似度:65% Bioorganic & Medicinal Chemistry 2013 21 618-631 Structure-based drug design and potent anti-cancer activity of tricyclic 5:7:5-fused diimidazo[4,5-d:4′,5′-f][1,3]diazepines Atul Kondaskar, Shilpi Kondaskar, James C. Fishbein, Brandon A. Carter-Cooper, Rena G. Lapidus, Mariola Sadowska, Martin J. Edelman, Ramachandra S. Hosmane Structure 13C NMR 碳谱模拟图 6 . 2-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole C24H19N3O2 相似度:63.1% Heterocycles 2009 78 999-1013 Novel Charge-Transfer Chromophores Featuring Imidazole as π-Linkage Anjan Patel, Filip Bureš, Miroslav Ludwig, Jiří Kulhánek, Oldřich Pytela, and Aleš Růžička Structure 13C NMR 碳谱模拟图 7 . Ethyl 3,3-bis(3-methoxyphenyl)acrylate 相似度:63.1% Tetrahedron 2012 68 1466-1474 Palladium-catalyzed double arylations of terminal olefins in acetic acid Daichao Xu, Chunxin Lu, Wanzhi Chen Structure 13C NMR 碳谱模拟图 8 . 4,4',4''-(Ethene-1,1,2-triyl)tris(methoxybenzene) 相似度:63.1% Tetrahedron 2012 68 1466-1474 Palladium-catalyzed double arylations of terminal olefins in acetic acid Daichao Xu, Chunxin Lu, Wanzhi Chen Structure 13C NMR 碳谱模拟图 9 . N-[1-(4-Methoxyphenyl-β-carboline-3-carbonyl]-glycine 相似度:63.1% Molecules 2012 17 6100-6113 Synthesis and Evaluation of New β-Carboline-3-(4-benzylidene)-4H-oxazol-5-one Derivatives as Antitumor Agents Franciele Cristina Savariz, Mary Ann Foglio, João Ernesto de Carvalho, Ana Lúcia T. G. Ruiz, Marta C. T. Duarte, Mauricio Ferreira da Rosa, Emerson Meyer and Maria Helena Sarragiotto Structure 13C NMR 碳谱模拟图 10 . (Z)-1-[3-Ethoxy-1-(3-methoxyphenyl)prop-1-enyl]-2-methoxybenzene C19H22O3 相似度:63.1% European Journal of Organic Chemistry 2012 1603-1615 A One-Pot Three-Step Synthesis of Z-Trisubstituted Olefins from Arylalkynes and Their Cyclization into 4-Aryl-2H-chromenes Evelia Rasolofonjatovo, Bret Tréguier, Olivier Provot, Abdallah Hamze, Jean-Daniel Brion and Mouad Alami Structure 13C NMR 碳谱模拟图 11 . (E)-benzyl 2-[4-(4-methoxyphenyl)-1-(phenylsulfonyl)azetindin-2-ylidene]ethanoate C25H23NO5S 相似度:63.1% European Journal of Organic Chemistry 2010 3249-3256 Diastereoselective Aza-Baylis–Hillman Reactions: Synthesis of Chiral α-Allenylamines and 2-Azetines from Allenic Esters Bruna S. Santos, Ana L. Cardoso, Ana Matos Beja, Manuela Ramos Silva, José A. Paixão, Francisco Palacios and Teresa M. V. D. Pinho e Melo Structure 13C NMR 碳谱模拟图 12 . 2'-methylthio-2-oxo-2,3,3',3a'-tetrahydrospiro[imidazo[1,2-a]pyridine-3,3'-pyrazolo[1,5-a]quinoline] C18H14N4OS 相似度:63.1% Heterocycles 2012 86 1507-1516 Reactions of 3-[Bis(methylthio)methylene]-2(3H)-imidazo[1,2-a]pyridinones with Quinolinium and Isoquinolinium N-Unsubstituted Aminides Akikazu Kakehi,* Takashi Abe, Hiroyuki Suga, and Kennosuke Itoh Structure 13C NMR 碳谱模拟图 13 . 5-(3'-methoxybiphenyl-4-yl)-3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazole C23H21N3O2 相似度:63.1% Archiv der Pharmazie 2012 345 610-621 Synthesis and Biological Evaluation of Phenyl Substituted 1H-1,2,4-Triazoles as Non-Steroidal Inhibitors of 17β-Hydroxysteroid Dehydrogenase Type 2 Yaseen A. Al-Soud, Sandrine Marchais-Oberwinkler, Martin Frotscher and Rolf W. Hartmann Structure 13C NMR 碳谱模拟图 14 . 5-(4'-methoxybiphenyl-4-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole C22H19N3O2 相似度:63.1% Archiv der Pharmazie 2012 345 610-621 Synthesis and Biological Evaluation of Phenyl Substituted 1H-1,2,4-Triazoles as Non-Steroidal Inhibitors of 17β-Hydroxysteroid Dehydrogenase Type 2 Yaseen A. Al-Soud, Sandrine Marchais-Oberwinkler, Martin Frotscher and Rolf W. Hartmann Structure 13C NMR 碳谱模拟图 15 . N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)quinazolin-4-amine C17H15N3O2 相似度:63.1% Bioorganic & Medicinal Chemistry 2013 21 540-546 Molecular docking and synthesis of novel quinazoline analogues as inhibitors of transcription factors NF-κB activation and their anti-cancer activities Lu Xu, Wade A. Russu Structure 13C NMR 碳谱模拟图 16 . 1-(4-bromobenzyl)-4-(1-(4-methoxybenzyl)-5-amino-1H-imidazol-4-yl)-5-imino-1H-imidazol-2(5H)-one C21H19BrN6O2 相似度:63.1% Bioorganic & Medicinal Chemistry 2013 21 618-631 Structure-based drug design and potent anti-cancer activity of tricyclic 5:7:5-fused diimidazo[4,5-d:4′,5′-f][1,3]diazepines Atul Kondaskar, Shilpi Kondaskar, James C. Fishbein, Brandon A. Carter-Cooper, Rena G. Lapidus, Mariola Sadowska, Martin J. Edelman, Ramachandra S. Hosmane Structure 13C NMR 碳谱模拟图 17 . 2-Methoxy-4-(9H-pyrido [3,4-b] indol-1-yl)phenol C18H14N2O2 相似度:63.1% Natural Product Communications 2010 5 1591 - 1596 Synthesis and Bioactivity of -Carboline Derivatives Shengkun Li , Bing Yang, Qianliang Zhang, Jiwen Zhang*, JunruWang and Wenjun Wu Structure 13C NMR 碳谱模拟图 18 . 2-(3-Methoxyphenyl)-6-nitro-2,3-dihydroquinazolin-4(1H)-one C15H13N3O4 相似度:63.1% Journal of Heterocyclic Chemistry 2012 49 533-542 The Divergent Transformations of Aromatic o-Aminonitrile with Carbonyl Compound Jianhong Tang, Jiarong Li, Lijun Zhang, Shuling Ma, Daxin Shi, Qi Zhang, Liupan Yang, Xiuzhen Wang, Xuan Liu and Change Liu Structure 13C NMR 碳谱模拟图 19 . compound 15 相似度:63.1% Magnetic Resonance in Chemistry 1992 30 1027-1029 Substituent-induced chemical shift 13C NMR study of substituted 2-phenylthiazolidines R. Umarani Structure 13C NMR 碳谱模拟图 20 . 1-(4-carboxyphenyl)-5-(4-methoxyphenyl)-3-(4-methoxy-styryl)-2-pyrazoline C26H24N2O4 相似度:61.9% Journal of Heterocyclic Chemistry 2006 43 1303-1309 Synthesis of 1-substituted 5-aryl-3-styryl-2-pyrazolines and 3-aryl-5-styryl-2-pyrazolines by the reaction of dibenzylideneacetones and E,E-cinnamylideneacetophenones with hydrazines Albert Lévai and József Jekó Structure 13C NMR 碳谱模拟图 21 . compound 10 C26H24N2O6 相似度:60.8% Heterocycles 2002 57 1501-1506 Synthesis of 1,4-Benzodiazepine-2,5-dione Derivatives Tong-Ing Ho,* Wen-Shiong Chen, Chi-Wei Hsu, Yeun-Min Tsai, and Jim-Min Fang Structure 13C NMR 碳谱模拟图 22 . compound 3d 相似度:60% Chemistry of Natural Compounds 2004 40 585-590 DIASTEREOTOPIC SYNTHESIS OF 1- AND 1,1-SUBSTITUTED 4-PHENYL-2,3,4,9-TETRAHYDRO-1H-b-CARBOLINES B. B. Semenov, K. A. Novikov, A. N. Spitsin,V. N. Azev, and V. V. Kachala Structure 13C NMR 碳谱模拟图 23 . compound 4d 相似度:60% Chemistry of Natural Compounds 2004 40 585-590 DIASTEREOTOPIC SYNTHESIS OF 1- AND 1,1-SUBSTITUTED 4-PHENYL-2,3,4,9-TETRAHYDRO-1H-b-CARBOLINES B. B. Semenov, K. A. Novikov, A. N. Spitsin,V. N. Azev, and V. V. Kachala Structure 13C NMR 碳谱模拟图 24 . 5-Propyl-2,4,6-tris-(4'-methoxyphenyl)pyrimidine 相似度:60% Journal of Heterocyclic Chemistry 2002 39 1101-1104 A convenient method for the preparation of highly substituted pyrimidines: Synthesis of tri- and tetra-subsituted pyrimidines from 1,3-dicarbonyl compounds and N,N,N-tris-(trimethylsilyl)amidines Usha Ghosh and John A. Katzenellenbogen Structure 13C NMR 碳谱模拟图 25 . 2,4-bis(4-methoxyphenyl)pyrazolo[1,5-a]quinoxaline 1-oxide C24H19N3O3 相似度:60% Tetrahedron 2013 69 1849-1856 A new route to construct 1,2-dihydroquinoxaline and 1,4-benzoxazine derivatives stereoselectively and its application to novel pyrazolo[1,5-α]quinoxaline oxides Dongxue Zhang, Yan Yang, Meng Gao, Wenming Shu, Liuming Wu, Yanping Zhu, Anxin Wu Structure 13C NMR 碳谱模拟图 26 . 3-[2-Methoxy-5-(3-methylfuroxan-4-yl)phenyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one C20H19N3O5S 相似度:60% Journal of Heterocyclic Chemistry 2012 49 1077-1085 Synthesis of Some Series of 1,3-Thiazolidin-4-ones and Indoles Incorporating Furoxan Moiety Starting with Anethole Isolated from Star Anise Oil Nguyen Huu Dinh, Nguyen Quang Trung, Nguyen Dang Dat and Nguyen Hien Structure 13C NMR 碳谱模拟图 27 . 3-Bromo-1-(4-methoxybenzyl)-6-(3-methoxyphenyl)quinolin-2(1H)-one C24H21BrNO3 相似度:59.0% Bioorganic & Medicinal Chemistry 2014 22 3781-3790 Synthesis and biological evaluation of substituted 3-anilino-quinolin-2(1H)-ones as PDK1 inhibitors Nathan J. O’Brien, Martin Brzozowski, David J.D. Wilson, Leslie W. Deady, Belinda M. Abbott Structure 13C NMR 碳谱模拟图 28 . morinin D C20H24O5 相似度:57.8% Journal of Natural Products 1999 62 1363-1366 Phenylpropanol Derivatives from Morina chinensis Bao-Ning Su, Yoshihisa Takaishi, Hong-Quan Duan, and Bei Chen Structure 13C NMR 碳谱模拟图 29 . 3-methoxybenzyl 2,6-dimethoxybenzoate 相似度:57.8% Planta Medica 2005 71 320-325 Smooth Muscle Relaxant Action of Benzyl Benzoates and Salicylic Acid Derivatives from Brickellia veronicaefolia on Isolated Guinea-Pig Ileum Rivero-Cruz, Blanca; Rojas, María Alejandra; Rodríguez-Sotres, Rogelio; Cerda-García-Rojas, Carlos M.; Mata, Rachel Structure 13C NMR 碳谱模拟图 30 . 2-[(5,6-Dimethoxybenzofuran-2-carbonyl)-methylamino]benzoic acid C19H17NO6 相似度:57.8% Molecules 2002 7 353-362 Synthesis of 2, 3-Dimethoxy-7-methyl-7, 12-dihydro-6H-[1]-benzofuro-[2, 3-c]-[1]-benzazepin-6, 12-dione Yvette A. Jackson and Karla-Sue C. Marriott Structure 13C NMR 碳谱模拟图 31 . zenkerine 相似度:57.8% Journal of Natural Products 1987 Vol 50 297 The 13C-Nmr Spectra of 1,2,10-Trioxygenated Aporphines Bruce K. Cassels, André Cavé, Michel Leboeuf Structure 13C NMR 碳谱模拟图 32 . 3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole C16H14N2O2S 相似度:57.8% Bioorganic & Medicinal Chemistry 2012 20 510-520 Optimizing thiadiazole analogues of resveratrol versus three chemopreventive targets Abdelrahman S. Mayhoub, Laura Marler, Tamara P. Kondratyuk, Eun-Jung Park, John M. Pezzuto,Mark Cushman Structure 13C NMR 碳谱模拟图 33 . compound 2h 相似度:57.8% Journal of Heterocyclic Chemistry 2008 45 673-678 One-pot synthesis of angular furocoumarins: A simple protocol involving unprecedented intramolecular aldol condensation Lakshmi Narayan Dutta,Banani De and Amarendra Patra Structure 13C NMR 碳谱模拟图 34 . 5-(3-methoxyphenyl)-2-styryl-5-trifluoromethyl-2-oxazoline C19H16F3NO2 相似度:57.8% Journal of Heterocyclic Chemistry 2000 37 343-348 Unusual behaviour of N-cinnamoyl-2-hydroxy-2-(trifluoromethyl)-arylethylamines in pictet-gams cyclization. Synthesis of 2-styryl-5-aryl-5-trifluoromethyl-2-oxazolines LáSzló Poszávácz and Gyula Simig Structure 13C NMR 碳谱模拟图 35 . 2,6-bis(6'-cyano-4'-p-methoxyphenyl-2'-quinolinyl)pyridine 相似度:57.8% Journal of Heterocyclic Chemistry 2000 37 1225-1231 Synthesis and characterization of new substituted terdentate 2,6-bis(2'-quinolinyl)pyridine and 1,3-bis(2'-quinolinyl)-benzene ligands for transition metals Antonino Mamo Structure 13C NMR 碳谱模拟图 36 . compound 2h C21H15BrClN3O2 相似度:57.8% Indian Journal of Chemistry Section B 2006 45B 2077-2082 A facile synthesis of N-phenyl-6-hydroxy-3-bromo-4-arylazo quinolin-2-ones under phase transfer catalytic conditions and studies on their antimicrobial activities Sharma,Pratibha; Kumar,Ashok; Pandey,Priti Structure 13C NMR 碳谱模拟图 37 . 3,3',5,5'-tetrakis(4-methoxyphenyl)-2,2'-dimethoxymethoxybiphenyl C44H42O8 相似度:57.8% Heterocycles 2009 79 865-872 Effect of Aryl Substituents on Intramolecular Cyclization of 2,2'-Biphenoquinones Naoto Hayashi, Akifumi Kanda, Taku Kamoto, Hiroyuki Higuchi, and Takeyuki Akita Structure 13C NMR 碳谱模拟图 38 . 2-ethoxy-6,7-dihydro-6-oxo-4-phenylpyridazino[4,5-b][1,8]naphthyridine-3-carbonitrile C19H13N5O2 相似度:57.8% Heterocycles 2005 65 329-336 A Synthetic Route To Pyridazino[4,5-b]-1,8-naphthyridines, a New Tetraazaheterocyclic System Juan Vilar, Carlos Peinador, and José Ma Quintela* Structure 13C NMR 碳谱模拟图 39 . 1,4-bis(4-methoxybenzyl)-1H-imidazole C19H20N2O2 相似度:57.8% Heterocycles 2003 60 583-598 1-Methyl-3-trimethylsilylparabanic Acid as an Effective Reagent for the Preparation of N-Substituted (1-Methyl-2,5-dioxo-1,2,5H-imidazolin-4-yl)amines and Its Application to the Total Synthesis of Isonaamidines A and C, Antitumor Imidazole Alkaloids Seikou Nakamura, Ikuo Kawasaki, Masayuki Yamashita, and Shunsaku Ohta* Structure 13C NMR 碳谱模拟图 |
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