CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00574667" 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 CFAMM00574667
Family CFFNP4718 benzenesulfonate NP ZINC09051160 Family
Superfamily CFSNP456 benzenesulfonate NP (z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl Benzenesulfonate Superfamily
Class CFCBM1919 Class 4969
External ID ZINC09419808 External Source ZINC
PubChem CID 17589703 Functional Category Natural Product
Molecule Name STOCK6S-30887
IUPAC Name [(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate
Synonyms MolPort-002-678-220;STK992301;ZINC09419808;AKOS002293701;ST50795662;F3385-4733;2-[(2-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl benzenesulfonate;(2Z)-2-(2-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzenesulfonate
InChi InChI=1S/C21H13FO5S/c22-18-9-5-4-6-14(18)12-20-21(23)17-11-10-15(13-19(17)26-20)27-28(24,25)16-7-2-1-3-8-16/h1-13H/b20-12-
InChiKey CWUDBHAAPVDJJD-NDENLUEZSA-N
Formula C21H13FO5S Molecular Weight 396.39
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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