CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00031831" in compound.

Total 1 results found.

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 CFAMM00031831
Family CFFAD184 DNA Binder Primaquine Family
Superfamily CFSAD172 DNA Binder Primaquine Superfamily
Class CFCAD24 Class 24
External ID CHEMBL1094557 External Source CHEMBL
PubChem CID 12004116 Functional Category Bioactive
Molecule Name AGN-PC-00JMS5
IUPAC Name 6-methoxy-8-[4-[1-[3-(trifluoromethyl)quinolin-8-yl]piperidin-4-yl]piperazin-1-yl]quinoline
Synonyms SureCN3554225;CHEBI:727891;6-methoxy-8-[4-[1-[3-(trifluoromethyl)quinolin-8-yl]piperidin-4-yl]piperazin-1-yl]quinoline
InChi InChI=1S/C29H30F3N5O/c1-38-24-17-21-5-3-9-33-28(21)26(18-24)37-14-12-35(13-15-37)23-7-10-36(11-8-23)25-6-2-4-20-16-22(29(30,31)32)19-34-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3
InChiKey YMMDYYYQPNEQIT-UHFFFAOYSA-N
Formula C29H30F3N5O Molecular Weight 521.58
Cross Link CHEMBL1094557
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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