CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00230689" in compound.

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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 CFAMM00230689
Family CFFID1180 Thromboxane-A synthase Inhibitor CGS-22652 Family
Superfamily CFSID955 Thromboxane-A synthase Inhibitor CGS-22652 Superfamily
Class CFCCD315 Class 1128
External ID CHEMBL482526 External Source CHEMBL
PubChem CID 44586288 Functional Category Bioactive
Molecule Name AGN-PC-077PQL
IUPAC Name 1-(4-chlorophenyl)sulfonyl-4-[(4-pyridin-4-ylphenyl)methyl]piperazine
Synonyms CHEBI:609212;1-(4-chlorophenyl)sulfonyl-4-[(4-pyridin-4-ylphenyl)methyl]piperazine
InChi InChI=1S/C22H22ClN3O2S/c23-21-5-7-22(8-6-21)29(27,28)26-15-13-25(14-16-26)17-18-1-3-19(4-2-18)20-9-11-24-12-10-20/h1-12H,13-17H2
InChiKey FRFFVTOKDNTDQC-UHFFFAOYSA-N
Formula C22H22ClN3O2S Molecular Weight 427.95
Cross Link CHEMBL482526
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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