CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00280803" 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 CFAMM00280803
Family CFFID2958 Collagenase 3 and Macrophage metalloelastase Inhibitor 5-(4'-cyanobiphenyl-4-yl)-3-hydroxypentanoic Acid Family
Superfamily CFSID2081 Collagenase 3 and Macrophage metalloelastase Inhibitor 5-(4'-cyanobiphenyl-4-yl)-3-hydroxypentanoic Acid Superfamily
Class CFCID1268 Class 2618
External ID 54217034 External Source PubChem
PubChem CID 54217034 Functional Category Patent Compound
Molecule Name SureCN10755297
IUPAC Name 2-[2-[4-(4-ethoxy-3-ethoxycarbonyl-4-oxobutyl)phenyl]ethyl]-3-oxobutanoic acid
Synonyms AGN-PC-0A8J56;2-[2-[4-(4-ethoxy-3-ethoxycarbonyl-4-oxobutyl)phenyl]ethyl]-3-oxobutanoic acid
InChi InChI=1S/C21H28O7/c1-4-27-20(25)18(21(26)28-5-2)13-11-16-8-6-15(7-9-16)10-12-17(14(3)22)19(23)24/h6-9,17-18H,4-5,10-13H2,1-3H3,(H,23,24)
InChiKey PZXMRZNUOYHTMJ-UHFFFAOYSA-N
Formula C21H28O7 Molecular Weight 392.44
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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