CFam Chemical Families Database
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You are searching for "CFAMM00337852" in compound.

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CFAM Mol ID CFAMM00337852
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 CHEMBL337148 External Source CHEMBL
PubChem CID 44357735 Functional Category Bioactive
Molecule Name AGN-PC-075NA9
IUPAC Name 2-(1-benzylpiperidin-4-yl)-1-(4-methylsulfinylphenyl)ethanone;hydrate
Synonyms CHEBI:326923;2-(1-benzylpiperidin-4-yl)-1-(4-methylsulfinylphenyl)ethanone;hydrate
InChi InChI=1S/C21H25NO2S.H2O/c1-25(24)20-9-7-19(8-10-20)21(23)15-17-11-13-22(14-12-17)16-18-5-3-2-4-6-18;/h2-10,17H,11-16H2,1H3;1H2
InChiKey WIWLWIASTSGWLF-UHFFFAOYSA-N
Formula C21H27NO3S Molecular Weight 373.51
Cross Link CHEMBL337148
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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