CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00387811" 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 CFAMM00387811
Family CFFBM8423 72 kDa type IV collagenase and Matrix metalloproteinase-9 inhibitor 5-(4-methylpiperazin-1-yl)-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione family
Superfamily CFSBM4513 Matrix metalloproteinase-9 and 72 kDa type IV collagenase Binder Superfamily 7
Class CFCID107 Class 1457
External ID CHEMBL1946143 External Source CHEMBL
PubChem CID 56945851 Functional Category Bioactive
Molecule Name 4-fluoro-N-[2-[2-[2-[2-[4-[2,4,6-trioxo-5-(4-phenoxyphenyl)-1,3-diazinan-5-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]benzamide
IUPAC Name 4-fluoro-N-[2-[2-[2-[2-[4-[2,4,6-trioxo-5-(4-phenoxyphenyl)-1,3-diazinan-5-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]benzamide
Synonyms AGN-PC-0BMTR3;4-fluoro-N-[2-[2-[2-[2-[4-[2,4,6-trioxo-5-(4-phenoxyphenyl)-1,3-diazinan-5-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]benzamide
InChi InChI=1S/C35H40FN5O8/c36-28-10-6-26(7-11-28)31(42)37-14-20-46-22-24-48-25-23-47-21-19-40-15-17-41(18-16-40)35(32(43)38-34(45)39-33(35)44)27-8-12-30(13-9-27)49-29-4-2-1-3-5-29/h1-13H,14-25H2,(H,37,42)(H2,38,39,43,44,45)
InChiKey BCOFTFDFNHXYGF-UHFFFAOYSA-N
Formula C35H40FN5O8 Molecular Weight 677.72
Cross Link CHEMBL1946143
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
 

 

27276 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', 'CFAMM00387811'),None, txtsearch, CFAMM00387811|