CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00001837" 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 CFAMM00001837
Family CFFAD10 5-hydroxytryptamine receptor 2C ligand Tetracyclic antidepressant Mirtazapine Family
Superfamily CFSAD10 5-hydroxytryptamine receptor 2C ligand Tetracyclic antidepressant Mirtazapine Superfamily
Class CFCAD10 Class 10
External ID CHEMBL121632 External Source CHEMBL
PubChem CID 44346631 Functional Category Bioactive
Molecule Name AGN-PC-0751SP
IUPAC Name N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide
Synonyms CHEBI:299185;N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide
InChi InChI=1S/C20H23F3N4S/c1-14(2)15-5-7-16(8-6-15)25-19(28)27-12-10-26(11-13-27)18-17(20(21,22)23)4-3-9-24-18/h3-9,14H,10-13H2,1-2H3,(H,25,28)
InChiKey ICQKSTDPWZOJHB-UHFFFAOYSA-N
Formula C20H23F3N4S Molecular Weight 408.48
Cross Link CHEMBL121632
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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