CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00301131" 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 CFAMM00301131
Family CFFID3999 Metabotropic glutamate receptor 5 Ligand 5-((6-methylpyridin-2-yl)ethynyl)nicotinonitrile Family
Superfamily CFSAD143 Histamine H1 receptor ligand Pheniramine Triprolidine, Nicotinic acetylcholine receptor ligand Nicotine Superfamily
Class CFCAD141 Class 141
External ID 19858701 External Source PubChem
PubChem CID 19858701 Functional Category Patent Compound
Molecule Name AGN-PC-02L3AX
IUPAC Name 4-(5-heptylpyridin-2-yl)-2-nitrobenzonitrile
Synonyms SureCN9158689;4-(5-heptylpyridin-2-yl)-2-nitrobenzonitrile
InChi InChI=1S/C19H21N3O2/c1-2-3-4-5-6-7-15-8-11-18(21-14-15)16-9-10-17(13-20)19(12-16)22(23)24/h8-12,14H,2-7H2,1H3
InChiKey MKNXRSKPGVPAGU-UHFFFAOYSA-N
Formula C19H21N3O2 Molecular Weight 323.39
Cross Link
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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