CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00176089" 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 CFAMM00176089
Family CFFID50 5-hydroxytryptamine receptor 2A Ligand RP-68303 Family
Superfamily CFSID36 5-hydroxytryptamine receptor 2A and Sodium-dependent serotonin transporter Binder Superfamily
Class CFCCD303 Class 1116
External ID CHEMBL1766536 External Source CHEMBL
PubChem CID 52937216 Functional Category Bioactive
Molecule Name AGN-PC-09M1KA
IUPAC Name N-[(3-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinolin-5-amine
Synonyms CHEBI:1241570;N-[(3-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinolin-5-amine
InChi InChI=1S/C22H22F4N4/c1-29-5-7-30(8-6-29)18-12-19-20(27-13-15-3-2-4-17(23)9-15)10-16(22(24,25)26)11-21(19)28-14-18/h2-4,9-12,14,27H,5-8,13H2,1H3
InChiKey SSYJBMNQKJRSKP-UHFFFAOYSA-N
Formula C22H22F4N4 Molecular Weight 418.43
Cross Link CHEMBL1766536
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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