CFam Chemical Families Database
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You are searching for "CFAMM00326008" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00326008
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 CHEMBL219316 External Source CHEMBL
PubChem CID 16094876 Functional Category Bioactive
Molecule Name tacrine derivative 16e
IUPAC Name N-[5-oxo-5-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]pentyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Synonyms AGN-PC-00SXFI;N-[5-oxo-5-[2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]pentyl]-3-(3,4,5-trimethoxyphenyl)propanamide
InChi InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)
InChiKey UZTWTDUISHKFGD-UHFFFAOYSA-N
Formula C30H38N4O5 Molecular Weight 534.65
Cross Link CHEMBL219316
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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