CFam Chemical Families Database
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You are searching for "CFAMM00262200" 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 CFAMM00262200
Family CFFID2201 Adenosine receptor A2a and Adenosine receptor A3 Ligand 2-(3''-(benzoimidazole-1''-yl)ethyloxy)adenosine Family
Superfamily CFSID222 Adenosine receptor A2a and Adenosine receptor A1 Binder Superfamily
Class CFCAD652 Class 652
External ID CHEMBL2170996 External Source CHEMBL
PubChem CID 70678247 Functional Category Bioactive
Molecule Name 1-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-iodophenyl)urea
IUPAC Name 1-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-3-(4-iodophenyl)urea
Synonyms
InChi InChI=1S/C20H24IN7O4S/c21-11-2-4-12(5-3-11)27-20(31)23-6-1-7-33-8-13-15(29)16(30)19(32-13)28-10-26-14-17(22)24-9-25-18(14)28/h2-5,9-10,13,15-16,19,29-30H,1,6-8H2,(H2,22,24,25)(H2,23,27,31)/t13-,15-,16-,19-/m1/s1
InChiKey SAXPICDWVMYWFF-NVQRDWNXSA-N
Formula C20H24IN7O4S Molecular Weight 585.42
Cross Link CHEMBL2170996
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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