CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00304006" 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.

Search Results

CFAM Mol ID CFAMM00304006
Family CFFID4197 Choline kinase alpha Inhibitor Bisquinolinium Derivative Family
Superfamily CFSID1349 Cholinesterase and Acetylcholinesterase Binder Superfamily 3
Class CFCCD12 Class 825
External ID 57180120 External Source PubChem
PubChem CID 57180120 Functional Category Patent Compound
Molecule Name AGN-PC-0BOYWF
IUPAC Name 1-[1,8-dichloro-8-[4-[(2-fluorophenyl)methylamino]pyridin-1-ium-1-yl]octyl]-N-[(2-fluorophenyl)methyl]pyridin-1-ium-4-amine
Synonyms SureCN11470665;1-[1,8-dichloro-8-[4-[(2-fluorophenyl)methylamino]pyridin-1-ium-1-yl]octyl]-N-[(2-fluorophenyl)methyl]pyridin-1-ium-4-amine
InChi InChI=1S/C32H34Cl2F2N4/c33-31(39-19-15-27(16-20-39)37-23-25-9-5-7-11-29(25)35)13-3-1-2-4-14-32(34)40-21-17-28(18-22-40)38-24-26-10-6-8-12-30(26)36/h5-12,15-22,31-32H,1-4,13-14,23-24H2/p+2
InChiKey BEPWBEQBCUHZMP-UHFFFAOYSA-P
Formula C32H36Cl2F2N4+2 Molecular Weight 585.56
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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