CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00065475" in compound.

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CFAM Mol ID CFAMM00065475
Family CFFAD452 Cyclooxygenase Inhibitor Indomethacin Family
Superfamily CFSAD391 Cyclooxygenase Inhibitor Indomethacin Superfamily
Class CFCAD97 Class 97
External ID CHEMBL328864 External Source CHEMBL
PubChem CID 27861 Functional Category Bioactive
Molecule Name Indomethacin ethyl ester
IUPAC Name ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Synonyms BRN 0497742;1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid ethyl ester;INDOLE-3-ACETIC ACID, 1-(p-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, ETHYL ESTER;16401-99-3;AC1L1E4A;SureCN4549122;CHEBI:258973;LS-82134;ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChi InChI=1S/C21H20ClNO4/c1-4-27-20(24)12-17-13(2)23(19-10-9-16(26-3)11-18(17)19)21(25)14-5-7-15(22)8-6-14/h5-11H,4,12H2,1-3H3
InChiKey COIRSVPTDJIIKY-UHFFFAOYSA-N
Formula C21H20ClNO4 Molecular Weight 385.84
Cross Link CHEMBL328864
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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