CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00602919" 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 CFAMM00602919
Family CFFPA9235 Putative Patent WO9316068,US6090826 Family
Superfamily CFSBM1102 Histamine H3 receptor and Sodium-dependent serotonin transporter Binder Superfamily 2
Class CFCCD316 Class 1129
External ID 54076265 External Source PubChem
PubChem CID 54076265 Functional Category Patent Compound
Molecule Name AGN-PC-0A2KE4
IUPAC Name ethyl 2-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-2-yl)ethynyl]pyridin-3-yl]acetate
Synonyms ethyl 2-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrochromen-2-yl)ethynyl]pyridin-3-yl]acetate
InChi InChI=1S/C25H29NO3/c1-5-25(6-2)16-21(29-23-14-18(4)8-13-22(23)25)12-11-20-10-9-19(17-26-20)15-24(27)28-7-3/h8-10,13-14,17,21H,5-7,15-16H2,1-4H3
InChiKey MJXINDHPEJYBBX-UHFFFAOYSA-N
Formula C25H29NO3 Molecular Weight 391.50
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
 

 

48680 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', 'CFAMM00602919'),None, txtsearch, CFAMM00602919|