CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00250234" 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 CFAMM00250234
Family CFFID1772 Cytochrome P450 11B1, mitochondrial and Aromatase Inhibitor 3-(naphthalen-2-yl)pyridine Family
Superfamily CFSID1363 Cytochrome P450 11B1, mitochondrial and Aromatase Binder Superfamily
Class CFCID752 Class 2102
External ID CHEMBL454767 External Source CHEMBL
PubChem CID 44159538 Functional Category Bioactive
Molecule Name AGN-PC-071UMJ
IUPAC Name 3-phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium;tetrabromide
Synonyms CHEBI:594722;3-phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium;tetrabromide
InChi InChI=1S/C70H78N4.4BrH/c1-9-29-59(30-10-1)67-41-25-49-71(55-67)45-21-5-17-37-63-53-65(39-19-7-23-47-73-51-27-43-69(57-73)61-33-13-3-14-34-61)66(40-20-8-24-48-74-52-28-44-70(58-74)62-35-15-4-16-36-62)54-64(63)38-18-6-22-46-72-50-26-42-68(56-72)60-31-11-2-12-32-60;;;;/h1-4,9-16,25-36,41-44,49-58H,5-8,17-24,37-40,45-48H2;4*1H/q+4;;;;/p-4
InChiKey GSRKDBFEHMRTCO-UHFFFAOYSA-J
Formula C70H78Br4N4 Molecular Weight 1295.01
Cross Link CHEMBL454767
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
 

 

26815 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', 'CFAMM00250234'),None, txtsearch, CFAMM00250234|