CFam Chemical Families Database
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You are searching for "CFAMM00442613" in compound.

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CFAM Mol ID CFAMM00442613
Family CFFBM17449 Adenosine receptor A2b and Adenosine receptor A1 ligand [4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-phenylcarbamate family
Superfamily CFSBM7075 Adenosine receptor A2b and Adenosine receptor A2a Binder Superfamily 3
Class CFCBM122 Class 3172
External ID CHEMBL247008 External Source CHEMBL
PubChem CID 11627439 Functional Category Bioactive
Molecule Name AGN-PC-00CYG6
IUPAC Name methyl 4-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-imidazole-5-carboxylate
Synonyms CHEBI:515320;methyl 4-[4-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-imidazole-5-carboxylate
InChi InChI=1S/C22H19F6N5O2/c1-35-19(34)17-16(13-4-6-14(7-5-13)21(23,24)25)30-20(31-17)33-11-9-32(10-12-33)18-15(22(26,27)28)3-2-8-29-18/h2-8H,9-12H2,1H3,(H,30,31)
InChiKey NBKDYHQVHPQTED-UHFFFAOYSA-N
Formula C22H19F6N5O2 Molecular Weight 499.41
Cross Link CHEMBL247008
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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