CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00241998" 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 CFAMM00241998
Family CFFID1541 Histamine H3 receptor Ligand 2-(4-isopropyl-piperazin-1-yl)-quinoline Family
Superfamily CFSID897 cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Histamine H3 receptor Binder Superfamily
Class CFCCD90 Class 903
External ID 22503615 External Source PubChem
PubChem CID 22503615 Functional Category Patent Compound
Molecule Name AGN-PC-03QAUB
IUPAC Name 3-(4-bromophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline
Synonyms SureCN4773428;3-(4-bromophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline
InChi InChI=1S/C21H22BrN3/c1-2-24-11-13-25(14-12-24)21-19-6-4-3-5-17(19)15-20(23-21)16-7-9-18(22)10-8-16/h3-10,15H,2,11-14H2,1H3
InChiKey IAUSPQCSIWCCKL-UHFFFAOYSA-N
Formula C21H22BrN3 Molecular Weight 396.32
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
 

 

27433 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00241998'),None, txtsearch, CFAMM00241998|