有微谱数据的大侠可以输入以下数据 查一下
c谱数据如下 138.9132.8130.4130.3129.5129.5128.5 127.8127.566.256.651.239.038.120.7
麻烦用模糊查询相似度高的化合物,各位啊
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
20.7,38.1,39.0,51.2,56.6,66.2,127.5,127.8,128.5,129.5,129.5,130.3,130.4,132.8,138.9
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值
匹配容差: (数字格式,可自行设定)
相似度:%(相似度>=50%)
查询结果:共查到1432个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------
1 . trichosanatine
C27H28N2O4 相似度:75%
Acta Pharmaceutica Sinica 1995 30 517-520
STRUCTURE DETERMINATION OF TRICHOSANATINE FROM TRICHOSANTHES ROSTHORNII
ZM Chao and JM Liu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . [4(5)S]-4(5)-(2-Aminoethyl)-2-[(naphthyl-1)methylene]imidazoline dihydrobromide
C16H21Br2N3 相似度:68.7%
Bioorganic & Medicinal Chemistry 2011 19 156-167
New imidazoline/α2-adrenoceptors affecting compounds—4(5)-(2-aminoethyl)imidazoline (dihydrohistamine)derivatives. Synthesis and receptor affinity studies
Adam P. Treder, Ryszard Andruszkiewicz, Włodzimierz Zgoda, Aleksandra Walkowiak,Celeste Ford, Alan L. Hudson
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . [4(5)R]-4(5)-(2-Aminoethyl)-2-[(naphthyl-1)methylene]imidazoline dihydrobromide
C16H21Br2N3 相似度:68.7%
Bioorganic & Medicinal Chemistry 2011 19 156-167
New imidazoline/α2-adrenoceptors affecting compounds—4(5)-(2-aminoethyl)imidazoline (dihydrohistamine)derivatives. Synthesis and receptor affinity studies
Adam P. Treder, Ryszard Andruszkiewicz, Włodzimierz Zgoda, Aleksandra Walkowiak,Celeste Ford, Alan L. Hudson
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . compound 3a
相似度:68.7%
Bioorganic & Medicinal Chemistry 2010 18 2651-2663
Inhibition of Escherichia coli glycosyltransferase MurG and Mycobacterium tuberculosis Gal transferase by uridine-linked transition state mimics
Amy E. Trunkfield, Sudagar S. Gurcha, Gurdyal S. Besra, Timothy D.H. Bugg
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . 2-benzoylaminothiobenzamide h
C16H16N2OS 相似度:66.6%
Molecules 2001 6 323-337
Synthesis of Substituted 2-Benzoylaminothiobenzamides and Their Ring Closure to Substituted 2-Phenylquinazoline-4-thiones
Jiři Hanusek, Ludmila Hejtmankova, Lenka Kubicova and Miloš Sedlak
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
6 . Methyl 2-(1-oxido-2-methoxypyridin-5-yl)phenylacetate
C15H15NO4 相似度:66.6%
Canadian Journal of Chemistry 2011 89 617–622
Synthesis of phenylacetic acid regioisomers possessing an N-substituted 1, 2-dihydropyrid-2-one pharmacophore — Evaluation as inhibitors of cyclooxygenases and 5-lipoxygenase
Gang Yu, Morshed A. Chowdhury, Zhangjian Huang, Khaled R. A. Abdellatif, and Edward E. Knaus
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . 1-(2-chlorobenzyl)-1-(2-chlorobenzyloxy)urea
C15H14Cl2N2O2 相似度:66.6%
Chemical & Pharmaceutical Bulletin 2010 58 94-97
Synthesis, Antitumor Evaluation and Crystal Structure of Hydroxyurea Derivatives
Xi Mai, Xiaosan Lu, Hongying Xia, Yusheng Cao, Yijing Liao and Xiaolan Lv
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . compound 4b
相似度:66.6%
Indian Journal of Chemistry 2009 48B 1144-1147
Synthesis and characterization of 5-(2-nitro-1-arylpropyl)-4-aryl-1,2,3-selenadiazoles
Saravanan,S; Amuthavalli,A; Muthusubramanian,S
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
9 . methyl 6'-(azidomethyl)-4'-chlorobiphenyl-2-carboxylate
相似度:66.6%
Heterocycles 2010 80 669-677
A Concise Synthesis of 6,7-Dihydro-5H-dibenz[c,e]azepin-5-one
Young-Hyoung Goh, Guncheol Kim, Bum Tae Kim, and Jung-Nyoung Heo 3 1 2 3 下一页 尾页
c谱数据如下 138.9132.8130.4130.3129.5129.5128.5 127.8127.566.256.651.239.038.120.7
麻烦用模糊查询相似度高的化合物,各位啊
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
20.7,38.1,39.0,51.2,56.6,66.2,127.5,127.8,128.5,129.5,129.5,130.3,130.4,132.8,138.9
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值
匹配容差: (数字格式,可自行设定)
相似度:%(相似度>=50%)
查询结果:共查到1432个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------
1 . trichosanatine
C27H28N2O4 相似度:75%
Acta Pharmaceutica Sinica 1995 30 517-520
STRUCTURE DETERMINATION OF TRICHOSANATINE FROM TRICHOSANTHES ROSTHORNII
ZM Chao and JM Liu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . [4(5)S]-4(5)-(2-Aminoethyl)-2-[(naphthyl-1)methylene]imidazoline dihydrobromide
C16H21Br2N3 相似度:68.7%
Bioorganic & Medicinal Chemistry 2011 19 156-167
New imidazoline/α2-adrenoceptors affecting compounds—4(5)-(2-aminoethyl)imidazoline (dihydrohistamine)derivatives. Synthesis and receptor affinity studies
Adam P. Treder, Ryszard Andruszkiewicz, Włodzimierz Zgoda, Aleksandra Walkowiak,Celeste Ford, Alan L. Hudson
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . [4(5)R]-4(5)-(2-Aminoethyl)-2-[(naphthyl-1)methylene]imidazoline dihydrobromide
C16H21Br2N3 相似度:68.7%
Bioorganic & Medicinal Chemistry 2011 19 156-167
New imidazoline/α2-adrenoceptors affecting compounds—4(5)-(2-aminoethyl)imidazoline (dihydrohistamine)derivatives. Synthesis and receptor affinity studies
Adam P. Treder, Ryszard Andruszkiewicz, Włodzimierz Zgoda, Aleksandra Walkowiak,Celeste Ford, Alan L. Hudson
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . compound 3a
相似度:68.7%
Bioorganic & Medicinal Chemistry 2010 18 2651-2663
Inhibition of Escherichia coli glycosyltransferase MurG and Mycobacterium tuberculosis Gal transferase by uridine-linked transition state mimics
Amy E. Trunkfield, Sudagar S. Gurcha, Gurdyal S. Besra, Timothy D.H. Bugg
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . 2-benzoylaminothiobenzamide h
C16H16N2OS 相似度:66.6%
Molecules 2001 6 323-337
Synthesis of Substituted 2-Benzoylaminothiobenzamides and Their Ring Closure to Substituted 2-Phenylquinazoline-4-thiones
Jiři Hanusek, Ludmila Hejtmankova, Lenka Kubicova and Miloš Sedlak
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
6 . Methyl 2-(1-oxido-2-methoxypyridin-5-yl)phenylacetate
C15H15NO4 相似度:66.6%
Canadian Journal of Chemistry 2011 89 617–622
Synthesis of phenylacetic acid regioisomers possessing an N-substituted 1, 2-dihydropyrid-2-one pharmacophore — Evaluation as inhibitors of cyclooxygenases and 5-lipoxygenase
Gang Yu, Morshed A. Chowdhury, Zhangjian Huang, Khaled R. A. Abdellatif, and Edward E. Knaus
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . 1-(2-chlorobenzyl)-1-(2-chlorobenzyloxy)urea
C15H14Cl2N2O2 相似度:66.6%
Chemical & Pharmaceutical Bulletin 2010 58 94-97
Synthesis, Antitumor Evaluation and Crystal Structure of Hydroxyurea Derivatives
Xi Mai, Xiaosan Lu, Hongying Xia, Yusheng Cao, Yijing Liao and Xiaolan Lv
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . compound 4b
相似度:66.6%
Indian Journal of Chemistry 2009 48B 1144-1147
Synthesis and characterization of 5-(2-nitro-1-arylpropyl)-4-aryl-1,2,3-selenadiazoles
Saravanan,S; Amuthavalli,A; Muthusubramanian,S
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
9 . methyl 6'-(azidomethyl)-4'-chlorobiphenyl-2-carboxylate
相似度:66.6%
Heterocycles 2010 80 669-677
A Concise Synthesis of 6,7-Dihydro-5H-dibenz[c,e]azepin-5-one
Young-Hyoung Goh, Guncheol Kim, Bum Tae Kim, and Jung-Nyoung Heo 3 1 2 3 下一页 尾页