CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00331143" 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 CFAMM00331143
Family CFFBM2188 D(3) dopamine receptor and 5-hydroxytryptamine receptor 1A ligand N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide family
Superfamily CFSBM795 Beta-lactamase and D(3) dopamine receptor Binder Superfamily
Class CFCBM311 Class 3361
External ID CHEMBL41446 External Source CHEMBL
PubChem CID 10507708 Functional Category Bioactive
Molecule Name SureCN7977311
IUPAC Name 4-[(E)-3-[[2-[2,4-dichloro-3-[(2,3-dimethyl-1-benzofuran-7-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Synonyms CHEBI:163097
InChi InChI=1S/C31H29Cl2N3O5/c1-18-19(2)41-30-22(18)6-5-7-26(30)40-17-23-24(32)13-14-25(29(23)33)36(4)28(38)16-35-27(37)15-10-20-8-11-21(12-9-20)31(39)34-3/h5-15H,16-17H2,1-4H3,(H,34,39)(H,35,37)/b15-10+
InChiKey VJQRWWHNFOVXAB-XNTDXEJSSA-N
Formula C31H29Cl2N3O5 Molecular Weight 594.49
Cross Link CHEMBL41446
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
 

 

27759 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', 'CFAMM00331143'),None, txtsearch, CFAMM00331143|