CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00407008" 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 CFAMM00407008
Family CFFBM11127 Adenosine receptor A2b and Adenosine receptor A1 ligand SureCN4056571 family
Superfamily CFSBM5377 Adenosine receptor A1 and Adenosine receptor A2b Binder Superfamily 5
Class CFCID131 Class 1481
External ID CHEMBL379217 External Source CHEMBL
PubChem CID 44413112 Functional Category Bioactive
Molecule Name SureCN4052844
IUPAC Name 6-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Synonyms CHEBI:451360
InChi InChI=1S/C25H26FN5O4S/c1-28-22-15-21(27-23(22)24(32)29(2)25(28)33)18-5-9-20(10-6-18)36(34,35)31-13-11-30(12-14-31)16-17-3-7-19(26)8-4-17/h3-10,15,27H,11-14,16H2,1-2H3
InChiKey HPNVPNMXIAKMOU-UHFFFAOYSA-N
Formula C25H26FN5O4S Molecular Weight 511.57
Cross Link CHEMBL379217
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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