CFam Chemical Families Database
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You are searching for "CFAMM00424776" in compound.

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CFAM Mol ID CFAMM00424776
Family CFFBM13856 Adenosine receptor A2a ligand 8-(3-fluorophenyl)-3-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine family
Superfamily CFSBM2532 cAMP and Prelamin-A/C Binder Superfamily 3
Class CFCCD49 Class 862
External ID CHEMBL480380 External Source CHEMBL
PubChem CID 23540117 Functional Category Bioactive
Molecule Name AGN-PC-044VYA
IUPAC Name 3-[5-amino-7-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzonitrile
Synonyms CHEBI:575519;3-[5-amino-7-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl-methylamino]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzonitrile
InChi InChI=1S/C28H33N9O2/c1-34(10-11-35-12-14-36(15-13-35)23-6-8-24(9-7-23)39-17-16-38-2)25-19-26-31-27(33-37(26)28(30)32-25)22-5-3-4-21(18-22)20-29/h3-9,18-19H,10-17H2,1-2H3,(H2,30,32)
InChiKey CALAGWXXGJLXKE-UHFFFAOYSA-N
Formula C28H33N9O2 Molecular Weight 527.62
Cross Link CHEMBL480380
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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