CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00450798" in compound.

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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 CFAMM00450798
Family CFFBM19147 Adenosine receptor A2b and Adenosine receptor A2a ligand 1-ethyl-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione family
Superfamily CFSBM6360 Adenosine receptor A2a and Adenosine receptor A2b Binder Superfamily 2
Class CFCAD737 Class 737
External ID CHEMBL604885 External Source CHEMBL
PubChem CID 46227995 Functional Category Bioactive
Molecule Name 1-(2-ethylsulfanylethyl)-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione
IUPAC Name 1-(2-ethylsulfanylethyl)-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione
InChi InChI=1S/C20H22N4O3S2/c1-3-28-11-8-23-19(25)17-18(24(20(23)26)13-14-6-4-9-27-14)21-16(22(17)2)12-15-7-5-10-29-15/h4-7,9-10H,3,8,11-13H2,1-2H3
Formula C20H22N4O3S2 Molecular Weight 430.54
Cross Link CHEMBL604885

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).

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