CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00298406" in compound.

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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 CFAMM00298406
Family CFFID3845 Prostaglandin G/H synthase 2 Inhibitor 3,4-dibenzyloxy-2'-hydroxychalcone Family
Superfamily CFSID2620 Prostaglandin G/H synthase 2 and CGMP-dependent protein kinase Binder Superfamily
Class CFCAD543 Class 543
External ID ZINC00079319 External Source ZINC
PubChem CID 699972 Functional Category Natural Product
Molecule Name ethyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate
IUPAC Name ethyl 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate
Synonyms ZINC00079319;AC1LF9P5;MLS000085560;STOCK1N-65032;MolPort-000-251-084;HMS1617L08;HMS2185I22;SBB039696;AKOS000268179;CCG-117387
InChi InChI=1S/C14H14O5S/c1-4-19-13(15)10-7-8-5-6-9(17-2)12(18-3)11(8)14(16)20-10/h5-7H,4H2,1-3H3
InChiKey SCZXIWDQCBCCOQ-UHFFFAOYSA-N
Formula C14H14O5S Molecular Weight 294.32
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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