CFam Chemical Families Database
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You are searching for "CFAMM00236321" in compound.

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CFAM Mol ID CFAMM00236321
Family CFFID1350 Adenosine receptor A2a and Adenosine receptor A3 Ligand 5-butyl-8-phenyl-3h-[1,2,4]triazolo[5,1-i]purine Family
Superfamily CFSID1076 Adenosine receptor A2a and Adenosine receptor A3 Ligand 5-butyl-8-phenyl-3h-[1,2,4]triazolo[5,1-i]purine Superfamily
Class CFCID704 Class 2054
External ID CHEMBL2030556 External Source CHEMBL
PubChem CID 58346931 Functional Category Bioactive
Molecule Name (3Z)-3-(4-chloroindol-2-ylidene)-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name (3Z)-3-(4-chloroindol-2-ylidene)-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms 3-(4-chloro-1H-indol-2-yl)-1-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine
InChi InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)
InChiKey XVLBYYUDKFJBBH-UHFFFAOYSA-N
Formula C16H15ClN6 Molecular Weight 326.78
Cross Link CHEMBL2030556
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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