CFam Chemical Families Database
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You are searching for "CFAMM00439338" in compound.

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CFAM Mol ID CFAMM00439338
Family CFFBM16779 Neutrophil elastase inhibitor AGN-PC-04S1IE family
Superfamily CFSBM4115 Retinal dehydrogenase 1 and Huntingtin Binder Superfamily 2
Class CFCAD516 Class 516
External ID CHEMBL408130 External Source CHEMBL
PubChem CID 24823446 Functional Category Bioactive
Molecule Name AGN-PC-04S1IE
IUPAC Name 3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione
Synonyms CHEBI:540867;3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione
InChi InChI=1S/C14H17NO3/c1-4-14(5-2)12(16)15(13(14)17)10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3
InChiKey YWSGNLPPLKUURH-UHFFFAOYSA-N
Formula C14H17NO3 Molecular Weight 247.29
Cross Link CHEMBL408130
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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