CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00282111" 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 CFAMM00282111
Family CFFID3013 Bifunctional epoxide hydrolase 2 Inhibitor N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide Family
Superfamily CFSID2115 Bifunctional epoxide hydrolase 2 Inhibitor N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide Superfamily
Class CFCCD350 Class 1163
External ID CHEMBL1169742 External Source CHEMBL
PubChem CID 49797823 Functional Category Bioactive
Molecule Name SureCN4167395
IUPAC Name (4-cyclobutyl-1,4-diazepan-1-yl)-(4-phenoxypyridin-2-yl)methanone
Synonyms AGN-PC-0885TX;CHEBI:747512;(4-cyclobutyl-1,4-diazepan-1-yl)-(4-phenoxypyridin-2-yl)methanone
InChi InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)17-6-4-7-17)20-16-19(10-11-22-20)26-18-8-2-1-3-9-18/h1-3,8-11,16-17H,4-7,12-15H2
InChiKey HTZOBNAWSZQACH-UHFFFAOYSA-N
Formula C21H25N3O2 Molecular Weight 351.44
Cross Link CHEMBL1169742
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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