CFam Chemical Families Database
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You are searching for "CFAMM00528198" 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 CFAMM00528198
Family CFFBM46631 Butyrylcholinesterase and Muscarinic acetylcholine receptor M2 ligand methylsulfate family
Superfamily CFSBM4172 Sodium-dependent serotonin transporter and Transporter Binder Superfamily 5
Class CFCCD189 Class 1002
External ID CHEMBL443499 External Source CHEMBL
PubChem CID 10482127 Functional Category Bioactive
Molecule Name methylsulfate
IUPAC Name [3-(dimethylcarbamoyloxy)-1-methylpyridin-1-ium-2-yl]methyl 2,2-diphenylpropanoate;methyl sulfate
Synonyms CHEBI:386491;21314-EP2275102A1;21314-EP2295432A1;21314-EP2311825A1;21314-EP2314295A1;21314-EP2314578A1
InChi InChI=1S/C25H27N2O4.CH4O4S/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3;1-5-6(2,3)4/h5-17H,18H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChiKey MURQUXKCBFLODY-UHFFFAOYSA-M
Formula C25H27N2O4.CH3O4S Molecular Weight 530.59
Cross Link CHEMBL443499
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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