CFam Chemical Families Database
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You are searching for "CFAMM00473838" in compound.

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CFAM Mol ID CFAMM00473838
Family CFFBM25315 Metabotropic glutamate receptor 5 and Cytochrome P450 1A2 ligand AGN-PC-075X5Z family
Superfamily CFSBM6563 Cytochrome P450 1A2 and Nonstructural protein 1 Binder Superfamily
Class CFCID631 Class 1981
External ID CHEMBL196054 External Source CHEMBL
PubChem CID 44403647 Functional Category Bioactive
Molecule Name AGN-PC-075X5Z
IUPAC Name 2-[2-(3-pyridin-4-ylsulfanylcyclohexen-1-yl)ethynyl]pyridine
Synonyms CHEBI:427919;Pyridine, 2-[[3-(4-pyridinylthio)-1-cyclohexen-1-yl]ethynyl]-
InChi InChI=1S/C18H16N2S/c1-2-11-20-16(5-1)8-7-15-4-3-6-18(14-15)21-17-9-12-19-13-10-17/h1-2,5,9-14,18H,3-4,6H2
InChiKey GUFUFYFRTYYYNL-UHFFFAOYSA-N
Formula C18H16N2S Molecular Weight 292.40
Cross Link CHEMBL196054
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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