CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00065278" 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 CFAMM00065278
Family CFFAD452 Cyclooxygenase Inhibitor Indomethacin Family
Superfamily CFSAD391 Cyclooxygenase Inhibitor Indomethacin Superfamily
Class CFCAD97 Class 97
External ID CHEMBL146055 External Source CHEMBL
PubChem CID 44365008 Functional Category Bioactive
Molecule Name AGN-PC-075R3Y
IUPAC Name 4-[3-(2-amino-2-oxoethyl)-1-(cyclohexylmethyl)-2-methylindol-5-yl]oxybutanoic acid
Synonyms CHEBI:346285;4-[3-(2-amino-2-oxoethyl)-1-(cyclohexylmethyl)-2-methylindol-5-yl]oxybutanoic acid
InChi InChI=1S/C22H30N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h9-10,12,16H,2-8,11,13-14H2,1H3,(H2,23,25)(H,26,27)
InChiKey AHHIMFVWOKPPRS-UHFFFAOYSA-N
Formula C22H30N2O4 Molecular Weight 386.48
Cross Link CHEMBL146055
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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