CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00317900" 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 CFAMM00317900
Family CFFBM955 Melatonin receptor type 1A and Melatonin receptor type 1B ligand AGN-PC-07YQIF family
Superfamily CFSBM544 Melatonin receptor type 1A and Melatonin receptor type 1B Binder Superfamily 2
Class CFCAD80 Class 80
External ID 54207713 External Source PubChem
PubChem CID 54207713 Functional Category Patent Compound
Molecule Name AGN-PC-0A8ER8
IUPAC Name 20-(tert-butylamino)-19-[4-(4-methylphenoxy)-3-[(4-methylphenoxy)methyl]phenyl]icosanoic acid
Synonyms 20-(tert-butylamino)-19-[4-(4-methylphenoxy)-3-[(4-methylphenoxy)methyl]phenyl]icosanoic acid
InChi InChI=1S/C45H67NO4/c1-36-23-28-41(29-24-36)49-35-40-33-38(27-32-43(40)50-42-30-25-37(2)26-31-42)39(34-46-45(3,4)5)21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-44(47)48/h23-33,39,46H,6-22,34-35H2,1-5H3,(H,47,48)
InChiKey PTRZUMJIMACYPI-UHFFFAOYSA-N
Formula C45H67NO4 Molecular Weight 686.02
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
 

 

27619 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', 'CFAMM00317900'),None, txtsearch, CFAMM00317900|