CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00227111" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00227111
Family CFFID1082 Adenosine receptor A1 and Adenosine receptor A2a Ligand 2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine Family
Superfamily CFSID139 Tryptase and Adenosine receptor A1 Binder Superfamily
Class CFCAD667 Class 667
External ID CHEMBL352690 External Source CHEMBL
PubChem CID 32366 Functional Category Bioactive
Molecule Name 24425-13-6
IUPAC Name 2-tert-butyl-1H-benzimidazole
Synonyms 2-tert-Butylbenzimidazole;2-tert-butyl-1H-benzo[d]imidazole;2-tert-Butyl-1H-benzimidazole;BENZIMIDAZOLE, 2-tert-BUTYL-;NSC 34830;AG-E-72739;BRN 0133137;1H-Benzimidazole, 2-(1,1-dimethylethyl)-;2-(tert-butyl)benzimidazole
InChi InChI=1S/C11H14N2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)
InChiKey ZQWHWRQRGKZTSE-UHFFFAOYSA-N
Formula C11H14N2 Molecular Weight 174.24
Cross Link CHEMBL352690
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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