CFam Chemical Families Database
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You are searching for "CFAMM00239909" 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 CFAMM00239909
Family CFFID1478 Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-fluorene-2,4-dione Family
Superfamily CFSID1159 Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-fluorene-2,4-dione Superfamily
Class CFCAD144 Class 144
External ID CHEMBL429450 External Source CHEMBL
PubChem CID 24749925 Functional Category Bioactive
Molecule Name SureCN554889
IUPAC Name 8-[(3R)-3-aminopiperidin-1-yl]-1-(isoquinolin-1-ylmethyl)-3-methyl-7-(3-methylbut-2-enyl)purine-2,6-dione
Synonyms CHEBI:499866
InChi InChI=1S/C26H31N7O2/c1-17(2)11-14-32-22-23(29-25(32)31-13-6-8-19(27)15-31)30(3)26(35)33(24(22)34)16-21-20-9-5-4-7-18(20)10-12-28-21/h4-5,7,9-12,19H,6,8,13-16,27H2,1-3H3/t19-/m1/s1
InChiKey XWGIZMOOTLOFBG-LJQANCHMSA-N
Formula C26H31N7O2 Molecular Weight 473.57
Cross Link CHEMBL429450
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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