CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00141801" 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 CFAMM00141801
Family CFFCD189 Adenosine receptor A2a Ligand Atl-146e Family
Superfamily CFSCD172 Adenosine receptor A2a Binder Superfamily
Class CFCAD172 Class 172
External ID CHEMBL2113486 External Source CHEMBL
PubChem CID 10025645 Functional Category Bioactive
Molecule Name (2S,3S,4R,5R)-5-[6-amino-2-[2-(1-aminocyclohexyl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
IUPAC Name (2S,3S,4R,5R)-5-[6-amino-2-[2-(1-aminocyclohexyl)ethynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Synonyms
InChi InChI=1S/C20H27N7O4/c1-2-23-18(30)15-13(28)14(29)19(31-15)27-10-24-12-16(21)25-11(26-17(12)27)6-9-20(22)7-4-3-5-8-20/h10,13-15,19,28-29H,2-5,7-8,22H2,1H3,(H,23,30)(H2,21,25,26)/t13-,14+,15-,19+/m0/s1
InChiKey OJVLFZZSDOPUBQ-QCUYGVNKSA-N
Formula C20H27N7O4 Molecular Weight 429.47
Cross Link CHEMBL2113486
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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