CFam Chemical Families Database
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You are searching for "CFAMM00239863" 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 CFAMM00239863
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 CHEMBL136364 External Source CHEMBL
PubChem CID 44358430 Functional Category Bioactive
Molecule Name 3-benzyl-8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione
IUPAC Name 3-benzyl-8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione
Synonyms CHEBI:328642
InChi InChI=1S/C24H19ClN4O2/c1-3-14-28-23(30)21-22(29(24(28)31)16-18-8-5-4-6-9-18)26-20(27(21)2)13-12-17-10-7-11-19(25)15-17/h1,4-13,15H,14,16H2,2H3/b13-12+
InChiKey ZCGZHYWNMSAZLQ-OUKQBFOZSA-N
Formula C24H19ClN4O2 Molecular Weight 430.89
Cross Link CHEMBL136364
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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