CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00054693" 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.

Search Results

CFAM Mol ID CFAMM00054693
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 CHEMBL263058 External Source CHEMBL
PubChem CID 44350841 Functional Category Bioactive
Molecule Name AGN-PC-075JF6
IUPAC Name 2-iodo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide;oxalic acid
Synonyms CHEBI:310324;2-iodo-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide;oxalic acid
InChi InChI=1S/C21H26IN3O2.C2H2O4/c1-27-20-10-5-4-9-19(20)25-15-13-24(14-16-25)12-6-11-23-21(26)17-7-2-3-8-18(17)22;3-1(4)2(5)6/h2-5,7-10H,6,11-16H2,1H3,(H,23,26);(H,3,4)(H,5,6)
InChiKey AEAUTYCNVOCIMR-UHFFFAOYSA-N
Formula C21H26IN3O2.C2H2O4 Molecular Weight 569.39
Cross Link CHEMBL263058
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
 

 

27254 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00054693'),None, txtsearch, CFAMM00054693|