CFam Chemical Families Database
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You are searching for "CFAMM00386828" 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 CFAMM00386828
Family CFFBM8275 Adenosine receptor A3 ligand (2Z)-2-(5-methoxy-2-methyl-1H-pyrazol-3-ylidene)-8-methyl-4-prop-2-enyl-7,8-dihydroimidazo[2,1-f]purin-5-one family
Superfamily CFSBM4466 Adenosine receptor A2b and Adenosine receptor A3 Binder Superfamily
Class CFCBM1576 Class 4626
External ID CHEMBL1800784 External Source CHEMBL
PubChem CID 53387414 Functional Category Bioactive
Molecule Name (2Z,8S)-8-ethyl-2-(5-methoxy-2-methyl-1H-pyrazol-3-ylidene)-4-prop-2-enyl-7,8-dihydroimidazo[2,1-f]purin-5-one
IUPAC Name (2Z,8S)-8-ethyl-2-(5-methoxy-2-methyl-1H-pyrazol-3-ylidene)-4-prop-2-enyl-7,8-dihydroimidazo[2,1-f]purin-5-one
Synonyms
InChi InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10H,1,6-7,9H2,2-4H3,(H,19,20)/t10-/m0/s1
InChiKey KYWJAQQLSXJDBU-JTQLQIEISA-N
Formula C17H21N7O2 Molecular Weight 355.39
Cross Link CHEMBL1800784
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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