CFam Chemical Families Database
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You are searching for "CFAMM00269996" 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 CFAMM00269996
Family CFFID2517 Adenosine receptor A1 and Adenosine receptor A2a Ligand 4-amino-2,6-diphenyl-pyrimidine-5-carbonitrile Family
Superfamily CFSID1373 Adenosine receptor A1 and Adenosine receptor A2a Binder Superfamily 5
Class CFCID23 Class 1373
External ID CHEMBL255802 External Source CHEMBL
PubChem CID 16062784 Functional Category Bioactive
Molecule Name 4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile
IUPAC Name 4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile
Synonyms AGN-PC-00SAZZ;SureCN183051;4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile
InChi InChI=1S/C20H22N4/c21-13-14-5-7-15(8-6-14)19-17-9-11-22-12-10-18(17)23-20(24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-12H2
InChiKey HTNMVRVINOXEIN-UHFFFAOYSA-N
Formula C20H22N4 Molecular Weight 318.42
Cross Link CHEMBL255802
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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