CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00337858" 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 CFAMM00337858
Family CFFBM2785 Acetylcholinesterase and Butyrylcholinesterase inhibitor N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-benzylsulfonyl-N-methylbenzamide family
Superfamily CFSBM679 Acetylcholinesterase and Butyrylcholinesterase Binder Superfamily
Class CFCID1236 Class 2586
External ID 18362734 External Source PubChem
PubChem CID 18362734 Functional Category Patent Compound
Molecule Name AGN-PC-01UYZI
IUPAC Name 1-(4-benzylpiperazin-1-yl)-3-(4-phenylsulfanylphenyl)propan-1-one
Synonyms 1-(4-benzylpiperazin-1-yl)-3-(4-phenylsulfanylphenyl)propan-1-one
InChi InChI=1S/C26H28N2OS/c29-26(28-19-17-27(18-20-28)21-23-7-3-1-4-8-23)16-13-22-11-14-25(15-12-22)30-24-9-5-2-6-10-24/h1-12,14-15H,13,16-21H2
InChiKey JXKFMCHGGFEGFI-UHFFFAOYSA-N
Formula C26H28N2OS Molecular Weight 416.58
Cross Link
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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