CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00230640" 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 CFAMM00230640
Family CFFID1180 Thromboxane-A synthase Inhibitor CGS-22652 Family
Superfamily CFSID955 Thromboxane-A synthase Inhibitor CGS-22652 Superfamily
Class CFCCD315 Class 1128
External ID 57108688 External Source PubChem
PubChem CID 57108688 Functional Category Patent Compound
Molecule Name AGN-PC-0BO27F
IUPAC Name diethyl 2-[6-[benzenesulfonyl(chloro)amino]hexyl]-2-(5-pyridin-3-ylpentyl)propanedioate
Synonyms diethyl 2-[6-[benzenesulfonyl(chloro)amino]hexyl]-2-(5-pyridin-3-ylpentyl)propanedioate
InChi InChI=1S/C29H41ClN2O6S/c1-3-37-27(33)29(28(34)38-4-2,21-13-8-9-16-25-17-15-22-31-24-25)20-12-5-6-14-23-32(30)39(35,36)26-18-10-7-11-19-26/h7,10-11,15,17-19,22,24H,3-6,8-9,12-14,16,20-21,23H2,1-2H3
InChiKey COIFNYPLOPTKLK-UHFFFAOYSA-N
Formula C29H41ClN2O6S Molecular Weight 581.16
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
 

 

45842 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', 'CFAMM00230640'),None, txtsearch, CFAMM00230640|