CFam Chemical Families Database
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You are searching for "CFAMM00274711" 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 CFAMM00274711
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 CHEMBL1632474 External Source CHEMBL
PubChem CID 49851278 Functional Category Bioactive
Molecule Name AGN-PC-088OI4
IUPAC Name 1-(1-adamantyl)-3-[3-(5-piperazin-1-ylpentoxy)phenyl]urea
Synonyms CHEBI:1155612;1-(1-adamantyl)-3-[3-(5-piperazin-1-ylpentoxy)phenyl]urea
InChi InChI=1S/C26H40N4O2/c31-25(29-26-17-20-13-21(18-26)15-22(14-20)19-26)28-23-5-4-6-24(16-23)32-12-3-1-2-9-30-10-7-27-8-11-30/h4-6,16,20-22,27H,1-3,7-15,17-19H2,(H2,28,29,31)
InChiKey UDVJSYFVWSYVIP-UHFFFAOYSA-N
Formula C26H40N4O2 Molecular Weight 440.62
Cross Link CHEMBL1632474
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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