CFam Chemical Families Database
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You are searching for "CFAMM00248488" 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 CFAMM00248488
Family CFFID1728 Thyroid hormone receptor beta Ligand (3,5-dibromo-4-pentyloxy-phenyl)-acetic Acid Family
Superfamily CFSID1331 Prostaglandin D2 receptor 2 and Thyroid hormone receptor beta Binder Superfamily
Class CFCID875 Class 2225
External ID CHEMBL402714 External Source CHEMBL
PubChem CID 23648093 Functional Category Bioactive
Molecule Name benzyl derivative, 11a
IUPAC Name 3-[3,5-dibromo-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
Synonyms AGN-PC-046RKW;SureCN4892311;Benzenepropanoic acid, 3,5-dibromo-4-[(2-methylphenyl)methoxy]-
InChi InChI=1S/C17H16Br2O3/c1-11-4-2-3-5-13(11)10-22-17-14(18)8-12(9-15(17)19)6-7-16(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
InChiKey AGHZMEAERHWCSB-UHFFFAOYSA-N
Formula C17H16Br2O3 Molecular Weight 428.12
Cross Link CHEMBL402714
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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