CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00274754" 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 CFAMM00274754
Family CFFID2712 Bifunctional epoxide hydrolase 2 Inhibitor 1-adamantan-1-yl-3-(4-methoxy-phenyl)-urea Family
Superfamily CFSID1944 Bifunctional epoxide hydrolase 2 Binder Superfamily 4
Class CFCID1190 Class 2540
External ID CHEMBL396760 External Source CHEMBL
PubChem CID 23631822 Functional Category Bioactive
Molecule Name AGN-PC-046ISE
IUPAC Name 1-(1-adamantyl)-3-[3-[2-(2-ethoxyethoxy)ethoxy]phenyl]urea
Synonyms SureCN12932046;CHEBI:489332;1-(1-adamantyl)-3-[3-[2-(2-ethoxyethoxy)ethoxy]phenyl]urea
InChi InChI=1S/C23H34N2O4/c1-2-27-6-7-28-8-9-29-21-5-3-4-20(13-21)24-22(26)25-23-14-17-10-18(15-23)12-19(11-17)16-23/h3-5,13,17-19H,2,6-12,14-16H2,1H3,(H2,24,25,26)
InChiKey UBOXNQVQQADXLL-UHFFFAOYSA-N
Formula C23H34N2O4 Molecular Weight 402.53
Cross Link CHEMBL396760
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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