CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00412606" 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 CFAMM00412606
Family CFFBM11925 Adenosine receptor A1 and Adenosine receptor A2a ligand AGN-PC-077SLY family
Superfamily CFSBM5616 Adenosine receptor A1 and Adenosine receptor A2a Binder Superfamily 17
Class CFCBM184 Class 3234
External ID CHEMBL456011 External Source CHEMBL
PubChem CID 44590832 Functional Category Bioactive
Molecule Name AGN-PC-077SM0
IUPAC Name N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)thiophene-2-carboxamide
Synonyms CHEBI:618687;N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)thiophene-2-carboxamide
InChi InChI=1S/C22H16N6OS/c29-22(17-12-7-13-30-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24,25,29)
InChiKey SNIUMEAFFOTCJB-UHFFFAOYSA-N
Formula C22H16N6OS Molecular Weight 412.47
Cross Link CHEMBL456011
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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