CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00054804" 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 CFAMM00054804
Family CFFAD376 Sodium channel protein type 5 subunit alpha Ligand Encainide Family
Superfamily CFSAD323 Sodium channel protein type 5 subunit alpha Ligand Encainide Superfamily
Class CFCAD303 Class 303
External ID CHEMBL126502 External Source CHEMBL
PubChem CID 44350849 Functional Category Bioactive
Molecule Name AGN-PC-075JFB
IUPAC Name 3-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide;oxalic acid
Synonyms CHEBI:310343;3-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide;oxalic acid
InChi InChI=1S/C22H28IN3O2.C2H2O4/c1-28-21-10-3-2-9-20(21)26-15-13-25(14-16-26)12-5-4-11-24-22(27)18-7-6-8-19(23)17-18;3-1(4)2(5)6/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,27);(H,3,4)(H,5,6)
InChiKey YKYMLHCGSNRFGE-UHFFFAOYSA-N
Formula C22H28IN3O2.C2H2O4 Molecular Weight 583.42
Cross Link CHEMBL126502
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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