CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00192487" 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 CFAMM00192487
Family CFFID460 5-hydroxytryptamine receptor 1A Ligand P-MPPI Family
Superfamily CFSID375 5-hydroxytryptamine receptor 1A and Peptidyl-prolyl cis-trans isomerase A Binder Superfamily
Class CFCID262 Class 1612
External ID CHEMBL341542 External Source CHEMBL
PubChem CID 44350625 Functional Category Bioactive
Molecule Name (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide;oxalic acid
IUPAC Name (E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide;oxalic acid
Synonyms CHEBI:309640
InChi InChI=1S/C23H30N4O2.C2H2O4/c1-29-22-9-3-2-8-21(22)27-17-15-26(16-18-27)14-5-4-13-25-23(28)11-10-20-7-6-12-24-19-20;3-1(4)2(5)6/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,25,28);(H,3,4)(H,5,6)/b11-10+;
InChiKey RJYWEUOEUFNJJK-ASTDGNLGSA-N
Formula C23H30N4O2.C2H2O4 Molecular Weight 484.54
Cross Link CHEMBL341542
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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