CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00239901" 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 CFAMM00239901
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 18360577 External Source PubChem
PubChem CID 18360577 Functional Category Patent Compound
Molecule Name SureCN7991397
IUPAC Name 2-(3-aminophenyl)-7-[(4-tert-butylphenyl)methyl]-3H-purin-6-one
Synonyms SureCN7991400;SureCN7991403
InChi InChI=1S/C22H23N5O/c1-22(2,3)16-9-7-14(8-10-16)12-27-13-24-20-18(27)21(28)26-19(25-20)15-5-4-6-17(23)11-15/h4-11,13H,12,23H2,1-3H3,(H,25,26,28)
InChiKey XWHLWCACQQRXIY-UHFFFAOYSA-N
Formula C22H23N5O Molecular Weight 373.45
Cross Link
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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