CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00429122" 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 CFAMM00429122
Family CFFBM14575 Histamine H3 receptor and Sodium-dependent serotonin transporter ligand (4-cyclopropyl-1,4-diazepan-1-yl)-[4-(3-methoxyphenoxy)-3-(methylaminomethyl)phenyl]methanone family
Superfamily CFSID1133 Peroxisome proliferator-activated receptor gamma and Peroxisome proliferator-activated receptor alpha Ligand KRP-297 Superfamily
Class CFCAD216 Class 216
External ID ZINC20518751 External Source ZINC
PubChem CID 29005395 Functional Category Natural Product
Molecule Name STK851966
IUPAC Name (2Z)-2-[(3-fluorophenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate
Synonyms MolPort-000-799-001;ZINC20518751;AKOS005629709;(2Z)-2-(3-fluorobenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
InChi InChI=1S/C21H21FN2O3/c1-23-7-9-24(10-8-23)13-17-18(25)6-5-16-20(26)19(27-21(16)17)12-14-3-2-4-15(22)11-14/h2-6,11-12,25H,7-10,13H2,1H3/b19-12-
InChiKey RZDWJIIYFGYGHS-UNOMPAQXSA-N
Formula C21H21FN2O3 Molecular Weight 368.40
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
 

 

27522 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', 'CFAMM00429122'),None, txtsearch, CFAMM00429122|