CFam Chemical Families Database
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You are searching for "CFAMM00381929" 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 CFAMM00381929
Family CFFBM7642 5-hydroxytryptamine receptor 2A ligand SureCN5215979 family
Superfamily CFSAD466 Prostaglandin G/H synthase 2 Inhibitor Celecoxib Superfamily
Class CFCAD428 Class 428
External ID CHEMBL178055 External Source CHEMBL
PubChem CID 44387776 Functional Category Bioactive
Molecule Name SureCN5210749
IUPAC Name 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-pyrazol-1-ylphenyl)sulfonylpiperidine
Synonyms AGN-PC-075B9B;CHEBI:396817;1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-pyrazol-1-ylphenyl)sulfonylpiperidine
InChi InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2
InChiKey UQBVRNKSOWSPQR-UHFFFAOYSA-N
Formula C22H22F3N3O2S Molecular Weight 449.49
Cross Link CHEMBL178055
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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