CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00178708" 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 CFAMM00178708
Family CFFID77 5-hydroxytryptamine receptor 1A Ligand (s)-way 100135 Family
Superfamily CFSID61 5-hydroxytryptamine receptor 1A Ligand (s)-way 100135 Superfamily
Class CFCID39 Class 1389
External ID CHEMBL129465 External Source CHEMBL
PubChem CID 44350843 Functional Category Bioactive
Molecule Name (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-(4-nitrophenyl)prop-2-enamide;oxalic acid
IUPAC Name (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-(4-nitrophenyl)prop-2-enamide;oxalic acid
Synonyms CHEBI:310327
InChi InChI=1S/C24H30N4O4.C2H2O4/c1-32-23-7-3-2-6-22(23)27-18-16-26(17-19-27)15-5-4-14-25-24(29)13-10-20-8-11-21(12-9-20)28(30)31;3-1(4)2(5)6/h2-3,6-13H,4-5,14-19H2,1H3,(H,25,29);(H,3,4)(H,5,6)/b13-10+;
InChiKey MOXMIFPWNKAOTO-RSGUCCNWSA-N
Formula C24H30N4O4.C2H2O4 Molecular Weight 528.55
Cross Link CHEMBL129465
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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