CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00456454" 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 CFAMM00456454
Family CFFBM20612 5-hydroxytryptamine receptor 7 ligand 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[[7-fluoro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]butanamide family
Superfamily CFSBM1205 C-C chemokine receptor type 3 and 5-hydroxytryptamine receptor 7 Binder Superfamily
Class CFCID107 Class 1457
External ID CHEMBL410043 External Source CHEMBL
PubChem CID 44452359 Functional Category Bioactive
Molecule Name N-[(6-fluoro-4-oxo-3-phenylquinazolin-2-yl)methyl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]butanamide
IUPAC Name N-[(6-fluoro-4-oxo-3-phenylquinazolin-2-yl)methyl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]butanamide
Synonyms AGN-PC-076DRY;N-[(6-fluoro-4-oxo-3-phenylquinazolin-2-yl)methyl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]butanamide
InChi InChI=1S/C30H32FN5O3/c1-39-25-10-5-9-24(20-25)35-17-15-34(16-18-35)14-6-11-29(37)32-21-28-33-27-13-12-22(31)19-26(27)30(38)36(28)23-7-3-2-4-8-23/h2-5,7-10,12-13,19-20H,6,11,14-18,21H2,1H3,(H,32,37)
InChiKey DJYYNXXDNBRVTR-UHFFFAOYSA-N
Formula C30H32FN5O3 Molecular Weight 529.61
Cross Link CHEMBL410043
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
 

 

27746 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', 'CFAMM00456454'),None, txtsearch, CFAMM00456454|