CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00345901" 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 CFAMM00345901
Family CFFBM3362 Adenosine receptor A2b and Adenosine receptor A1 ligand MRS 1706 family
Superfamily CFSBM621 Adenosine receptor A1 and Adenosine receptor A2b Binder Superfamily
Class CFCAD253 Class 253
External ID CHEMBL201022 External Source CHEMBL
PubChem CID 44406930 Functional Category Bioactive
Molecule Name 8-[4-[2-(4-iodophenyl)-2-oxoethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione
IUPAC Name 8-[4-[2-(4-iodophenyl)-2-oxoethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione
Synonyms
InChi InChI=1S/C25H25IN4O4/c1-3-13-29-23-21(24(32)30(14-4-2)25(29)33)27-22(28-23)17-7-11-19(12-8-17)34-15-20(31)16-5-9-18(26)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,27,28)
InChiKey RAKPTCORSHLZMM-UHFFFAOYSA-N
Formula C25H25IN4O4 Molecular Weight 572.39
Cross Link CHEMBL201022
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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