CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00113255" 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 CFAMM00113255
Family CFFAD927 DNA topoisomerase 2-beta Inhibitor Quinolones Family
Superfamily CFSAD780 DNA topoisomerase 2-beta Inhibitor Quinolones Superfamily
Class CFCAD163 Class 163
External ID ZINC02139798 External Source ZINC
PubChem CID 1795516 Functional Category Natural Product
Molecule Name AC1LX6KV
IUPAC Name benzyl (2R)-2-[2-(3,4-dihydroxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
Synonyms ZINC02139798;benzyl (2R)-2-[2-(3,4-dihydroxyphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
InChi InChI=1S/C21H24N2O5/c24-18-9-8-15(13-19(18)25)10-11-22-20(26)17-7-4-12-23(17)21(27)28-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,24-25H,4,7,10-12,14H2,(H,22,26)/t17-/m1/s1
InChiKey KQWDHIHKJKYIMV-QGZVFWFLSA-N
Formula C21H24N2O5 Molecular Weight 384.43
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
 

 

27405 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', 'CFAMM00113255'),None, txtsearch, CFAMM00113255|