CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00478054" 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 CFAMM00478054
Family CFFBM26320 P2X purinoceptor 7 inhibitor SureCN3722920 family
Superfamily CFSBM935 P2X purinoceptor 7 and D(2) dopamine receptor Binder Superfamily
Class CFCAD217 Class 217
External ID CHEMBL2218743 External Source CHEMBL
PubChem CID 49838659 Functional Category Bioactive
Molecule Name SureCN3725677
IUPAC Name 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-methoxy-5-morpholin-4-ylphenyl)piperazine-2,3-dione
Synonyms AGN-PC-088G5B;1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-methoxy-5-morpholin-4-ylphenyl)piperazine-2,3-dione
InChi InChI=1S/C22H23ClFN3O4/c1-30-20-5-4-17(25-8-10-31-11-9-25)13-19(20)27-7-6-26(21(28)22(27)29)14-15-2-3-16(24)12-18(15)23/h2-5,12-13H,6-11,14H2,1H3
InChiKey CYRPQEAYVKUZFO-UHFFFAOYSA-N
Formula C22H23ClFN3O4 Molecular Weight 447.89
Cross Link CHEMBL2218743
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
 

 

27744 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', 'CFAMM00478054'),None, txtsearch, CFAMM00478054|