CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00017977" 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 CFAMM00017977
Family CFFAD90 xanthine alkaloid Theobromine family
Superfamily CFSAD2 cAMP-specific 3',5'-cyclic phosphodiesterase, TNF inhibitor xanthine derivative Superfamily
Class CFCAD2 Class 2
External ID ZINC08791938 External Source ZINC
PubChem CID 16408121 Functional Category Natural Product
Molecule Name 1,7-dimethyl-3-(2-methylallyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
IUPAC Name 4,7-dimethyl-2-(2-methylprop-2-enyl)-6H-purino[7,8-a]imidazole-1,3-dione
Synonyms MolPort-002-536-104;ZINC08791938;AKOS015862337;MCULE-1687996353;1,7-dimethyl-3-(2-methylallyl)-1H-imidazo[2,1-f]pu;F3234-0951
InChi InChI=1S/C13H15N5O2/c1-7(2)5-18-11(19)9-10(16(4)13(18)20)15-12-14-8(3)6-17(9)12/h6H,1,5H2,2-4H3,(H,14,15)
InChiKey OMKPIACLKLIHPX-UHFFFAOYSA-N
Formula C13H15N5O2 Molecular Weight 273.29
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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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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