CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00488793" 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 CFAMM00488793
Family CFFBM29347 D(3) dopamine receptor and D(2) dopamine receptor ligand AGN-PC-07COTK family
Superfamily CFSBM843 D(3) dopamine receptor and D(2) dopamine receptor Binder Superfamily 5
Class CFCBM324 Class 3374
External ID CHEMBL574534 External Source CHEMBL
PubChem CID 45483655 Functional Category Bioactive
Molecule Name AGN-PC-07COTK
IUPAC Name N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[1-[[4-[4-[[4-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]benzamide
Synonyms CHEBI:673275;N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[1-[[4-[4-[[4-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]benzamide
InChi InChI=1S/C62H70N12O4/c1-77-59-13-5-3-11-57(59)71-39-35-69(36-40-71)33-9-7-31-63-61(75)53-27-23-51(24-28-53)55-45-73(67-65-55)43-47-15-19-49(20-16-47)50-21-17-48(18-22-50)44-74-46-56(66-68-74)52-25-29-54(30-26-52)62(76)64-32-8-10-34-70-37-41-72(42-38-70)58-12-4-6-14-60(58)78-2/h3-6,11-30,45-46H,7-10,31-44H2,1-2H3,(H,63,75)(H,64,76)
InChiKey KEOJOHYWCQCCER-UHFFFAOYSA-N
Formula C62H70N12O4 Molecular Weight 1047.30
Cross Link CHEMBL574534
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
 

 

26853 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', 'CFAMM00488793'),None, txtsearch, CFAMM00488793|