CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00293310" 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 CFAMM00293310
Family CFFID3532 D(2) dopamine receptor Ligand PD-168077 Family
Superfamily CFSID2437 D(2) dopamine receptor Ligand PD-168077 Superfamily
Class CFCCD137 Class 950
External ID DNC012281 External Source TTD
PubChem CID 3645619 Functional Category Investigative Drug
Molecule Name PD-168077
IUPAC Name N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
Synonyms PD-168,077;N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide;N-{[4-(2-cyanophenyl)piperazin-1-yl]methyl}-3-methylbenzamide;AC1MURTZ;NCGC00015791-01;Tocris-1065;Lopac-P-233;Biomol-NT_000050;SureCN4002275;Lopac0_000969
InChi InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
InChiKey DNULYRGWTFLJQL-UHFFFAOYSA-N
Formula C20H22N4O Molecular Weight 334.41
Cross Link CHEMBL45244
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
 

 

48708 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', 'CFAMM00293310'),None, txtsearch, CFAMM00293310|