CFam Chemical Families Database
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You are searching for "CFAMM00373589" 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 CFAMM00373589
Family CFFBM6575 5-hydroxytryptamine receptor 7 and 5-hydroxytryptamine receptor 1A ligand SureCN2469726 family
Superfamily CFSBM2341 Retinal dehydrogenase 1 and Nuclear receptor ROR-gamma Binder Superfamily 2
Class CFCID647 Class 1997
External ID CHEMBL553289 External Source CHEMBL
PubChem CID 13200256 Functional Category Bioactive
Molecule Name AGN-PC-00LF5D
IUPAC Name 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]benzonitrile;hydrochloride
Synonyms SureCN10972782;4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]benzonitrile;hydrochloride
InChi InChI=1S/C20H19N3S.ClH/c1-23(2)11-12-24-20-18(16-9-7-15(14-21)8-10-16)13-17-5-3-4-6-19(17)22-20;/h3-10,13H,11-12H2,1-2H3;1H
InChiKey ABOBBQNDTHXHOK-UHFFFAOYSA-N
Formula C20H20ClN3S Molecular Weight 369.91
Cross Link CHEMBL553289
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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