CFam Chemical Families Database
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You are searching for "CFAMM00326017" 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 CFAMM00326017
Family CFFBM1644 Muscarinic acetylcholine receptor M2 and Acetylcholinesterase ligand 2-[2-[[6-[2-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]-6-oxohexyl]carbamoyl]-4,5-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium;tribromide family
Superfamily CFSBM949 Acetylcholinesterase and Cholinesterase Binder Superfamily 2
Class CFCBM371 Class 3421
External ID CHEMBL540131 External Source CHEMBL
PubChem CID 45266173 Functional Category Bioactive
Molecule Name 2-[4-[[6-[2-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]-6-oxohexyl]carbamoyl]phenoxy]ethyl-triethylazanium;bromide
IUPAC Name 2-[4-[[6-[2-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]-6-oxohexyl]carbamoyl]phenoxy]ethyl-triethylazanium;bromide
Synonyms CHEBI:653666;AGN-PC-07C2Z9;2-[4-[[6-[2-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]-6-oxohexyl]carbamoyl]phenoxy]ethyl-triethylazanium;bromide
InChi InChI=1S/C34H46ClN5O3.BrH/c1-4-40(5-2,6-3)22-23-43-27-18-15-25(16-19-27)34(42)36-21-11-7-8-14-32(41)38-39-33-28-12-9-10-13-30(28)37-31-24-26(35)17-20-29(31)33;/h15-20,24H,4-14,21-23H2,1-3H3,(H2-,36,37,38,39,41,42);1H
InChiKey WKJTWYIBRAQLPL-UHFFFAOYSA-N
Formula C34H47BrClN5O3 Molecular Weight 689.13
Cross Link CHEMBL540131
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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