CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00400037" 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 CFAMM00400037
Family CFFBM10165 Adenosine receptor A2b and Adenosine receptor A2a ligand N-(4-bromophenyl)-2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-formylanilino]acetamide family
Superfamily CFSBM5085 Beta-lactamase and Beta-secretase 1 Binder Superfamily 3
Class CFCBM1716 Class 4766
External ID CHEMBL210383 External Source CHEMBL
PubChem CID 10196060 Functional Category Bioactive
Molecule Name SureCN4056571
IUPAC Name 6-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Synonyms CHEBI:451359;L022389
InChi InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-6-8-20(9-7-18)36(34,35)31-12-10-30(11-13-31)16-17-4-3-5-19(26)14-17/h3-9,14-15,27H,10-13,16H2,1-2H3
InChiKey SUOKLDPUHYJDKC-UHFFFAOYSA-N
Formula C25H26FN5O4S Molecular Weight 511.57
Cross Link CHEMBL210383
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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