CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00058339" 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 CFAMM00058339
Family CFFAD412 Acetylcholinesterase Inhibitor Neostigmine Family
Superfamily CFSAD358 Acetylcholinesterase Inhibitor Neostigmine Superfamily
Class CFCAD336 Class 336
External ID CHEMBL338492 External Source CHEMBL
PubChem CID 44357655 Functional Category Bioactive
Molecule Name AGN-PC-075N8O
IUPAC Name (5-acetyloxy-2-methylphenyl)-trimethylazanium
Synonyms CHEBI:326732;Benzenaminium, 5-(acetyloxy)-N,N,N,2-tetramethyl-
InChi InChI=1S/C12H18NO2/c1-9-6-7-11(15-10(2)14)8-12(9)13(3,4)5/h6-8H,1-5H3/q+1
InChiKey CKKVAQWWMPPXLE-UHFFFAOYSA-N
Formula C12H18NO2 Molecular Weight 208.28
Cross Link CHEMBL338492
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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