CFam Chemical Families Database
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You are searching for "CFAMM00067021" 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 CFAMM00067021
Family CFFAD456 Cyclooxygenase Inhibitor Flurbiprofen Family
Superfamily CFSAD395 Cyclooxygenase Inhibitor Flurbiprofen Superfamily
Class CFCAD368 Class 368
External ID 19990661 External Source PubChem
PubChem CID 19990661 Functional Category Patent Compound
Molecule Name AGN-PC-02Q9PX
IUPAC Name 5-ethoxy-4-ethoxycarbonyl-5-oxo-3-phenylpentanoic acid
Synonyms SureCN9785916;5-ethoxy-4-ethoxycarbonyl-5-oxo-3-phenylpentanoic acid
InChi InChI=1S/C16H20O6/c1-3-21-15(19)14(16(20)22-4-2)12(10-13(17)18)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3,(H,17,18)
InChiKey HJAYSBJXFJUABK-UHFFFAOYSA-N
Formula C16H20O6 Molecular Weight 308.33
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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