CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00590331" 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 CFAMM00590331
Family CFFPA1483 Putative Patent US5180735,EP0415294 Family 2
Superfamily CFSID454 Methionine aminopeptidase 2 Inhibitor TNP-470 Superfamily
Class CFCID317 Class 1667
External ID 19801079 External Source PubChem
PubChem CID 19801079 Functional Category Patent Compound
Molecule Name AGN-PC-02KAED
IUPAC Name [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)cyclohexyl] N-acetyl-N-chlorocarbamate
Synonyms [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)cyclohexyl] N-acetyl-N-chlorocarbamate
InChi InChI=1S/C20H32ClNO6S/c1-12(2)7-8-15-19(4,28-15)17-16(26-5)14(9-10-20(17,25)11-29-6)27-18(24)22(21)13(3)23/h7,14-17,25H,8-11H2,1-6H3
InChiKey ISYPMHUJQWUABD-UHFFFAOYSA-N
Formula C20H32ClNO6S Molecular Weight 449.99
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
 

 

115576 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', 'CFAMM00590331'),None, txtsearch, CFAMM00590331|