CFam Chemical Families Database
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You are searching for "CFAMM00132178" 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 CFAMM00132178
Family CFFCD61 Sodium/glucose cotransporter 2 Inhibitor Empagliflozin Family
Superfamily CFSCD58 Sodium/glucose cotransporter 2 Inhibitor Empagliflozin Superfamily
Class CFCCD51 Class 864
External ID CHEMBL1770247 External Source CHEMBL
PubChem CID 52952611 Functional Category Bioactive
Molecule Name SureCN181301
IUPAC Name (1S,2S,3S,4S,5S)-5-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Synonyms CHEBI:1242546
InChi InChI=1S/C21H23ClO7/c1-27-15-5-2-12(3-6-15)8-13-9-14(4-7-16(13)22)21-19(26)17(24)18(25)20(10-23,29-21)11-28-21/h2-7,9,17-19,23-26H,8,10-11H2,1H3/t17-,18-,19-,20-,21-/m0/s1
InChiKey RJTVHYMNUOKZQZ-SXYSDOLCSA-N
Formula C21H23ClO7 Molecular Weight 422.86
Cross Link CHEMBL1770247
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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