CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161534" 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 CFAMM00161534
Family CFFCD510 Tumor necrosis factor Inhibitor Tgaac-94 Family
Superfamily CFSCD467 Tumor necrosis factor Inhibitor Tgaac-94 Superfamily
Class CFCCD332 Class 1145
External ID CHEMBL12364 External Source CHEMBL
PubChem CID 44267890 Functional Category Bioactive
Molecule Name AGN-PC-0745SG
IUPAC Name N-[2-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
Synonyms CHEBI:110261;N-[2-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
InChi InChI=1S/C21H28F4N4O3/c22-16-4-5-17(18(13-16)32-15-21(23,24)25)28-11-9-27(10-12-28)8-6-26-19(30)14-29-7-2-1-3-20(29)31/h4-5,13H,1-3,6-12,14-15H2,(H,26,30)
InChiKey HJDROFKHSGSZLZ-UHFFFAOYSA-N
Formula C21H28F4N4O3 Molecular Weight 460.47
Cross Link CHEMBL12364
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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