CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00132141" 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 CFAMM00132141
Family CFFCD61 Sodium/glucose cotransporter 2 Inhibitor Empagliflozin Family
Superfamily CFSCD58 Sodium/glucose cotransporter 2 Inhibitor Empagliflozin Superfamily
Class CFCCD51 Class 864
External ID CHEMBL585092 External Source CHEMBL
PubChem CID 45488030 Functional Category Bioactive
Molecule Name SureCN3798575
IUPAC Name (3S,3'R,4'S,5'S,6'R)-6-chloro-5-[(4-ethoxy-2-methylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
Synonyms CHEBI:683224
InChi InChI=1S/C23H27ClO7/c1-3-29-16-5-4-13(12(2)6-16)7-14-8-17-15(9-18(14)24)11-30-23(17)22(28)21(27)20(26)19(10-25)31-23/h4-6,8-9,19-22,25-28H,3,7,10-11H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1
InChiKey DYQDTPMXENABAW-ZQGJOIPISA-N
Formula C23H27ClO7 Molecular Weight 450.91
Cross Link CHEMBL585092
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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