CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00141867" 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 CFAMM00141867
Family CFFCD189 Adenosine receptor A2a Ligand Atl-146e Family
Superfamily CFSCD172 Adenosine receptor A2a Binder Superfamily
Class CFCAD172 Class 172
External ID CHEMBL1939728 External Source CHEMBL
PubChem CID 57400692 Functional Category Bioactive
Molecule Name [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[4-[6-[4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylazaniumyl]butanoylamino]hexylamino]-4-oxobutyl]-dimethylazanium;diiodide
IUPAC Name [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[4-[6-[4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylazaniumyl]butanoylamino]hexylamino]-4-oxobutyl]-dimethylazanium;diiodide
InChi InChI=1S/C38H60N14O8.2HI/c1-51(2,17-23-29(55)31(57)37(59-23)49-21-47-27-33(39)43-19-45-35(27)49)15-9-11-25(53)41-13-7-5-6-8-14-42-26(54)12-10-16-52(3,4)18-24-30(56)32(58)38(60-24)50-22-48-28-34(40)44-20-46-36(28)50;;/h19-24,29-32,37-38,55-58H,5-18H2,1-4H3,(H4-2,39,40,41,42,43,44,45,46,53,54);2*1H/t23-,24-,29-,30-,31-,32-,37-,38-;;/m1../s1
Formula C38H62I2N14O8 Molecular Weight 1096.80
Cross Link CHEMBL1939728

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).

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