CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00247828" 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 CFAMM00247828
Family CFFID1707 Acetylcholinesterase and Cholinesterase Inhibitor 3-[7-(benzylmethylamino)-heptyloxy]xanthen-9-one Family
Superfamily CFSAD633 Muscarinic acetylcholine receptor Ligand Flavoxate Superfamily
Class CFCAD288 Class 288
External ID ZINC20503483 External Source ZINC
PubChem CID 28990780 Functional Category Natural Product
Molecule Name STK849807
IUPAC Name (2Z)-2-[(3-methylphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate
Synonyms MolPort-000-791-236;ZINC20503483;AKOS005628866;(2Z)-2-(3-methylbenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
InChi InChI=1S/C22H24N2O3/c1-15-4-3-5-16(12-15)13-20-21(26)17-6-7-19(25)18(22(17)27-20)14-24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11,14H2,1-2H3/b20-13-
InChiKey GTQRITVKASDCSA-MOSHPQCFSA-N
Formula C22H24N2O3 Molecular Weight 364.44
Cross Link
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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