CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00335685" 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 CFAMM00335685
Family CFFBM2582 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone family
Superfamily CFSID2043 Renin Inhibitor Ro-66-1168 Superfamily
Class CFCCD20 Class 833
External ID CHEMBL129813 External Source CHEMBL
PubChem CID 10649124 Functional Category Bioactive
Molecule Name 1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
IUPAC Name 1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
Synonyms CHEBI:312760
InChi InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
InChiKey ZKDTULNFGWCQJA-UHFFFAOYSA-N
Formula C29H34N4O4 Molecular Weight 502.60
Cross Link CHEMBL129813
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
 

 

27511 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', 'CFAMM00335685'),None, txtsearch, CFAMM00335685|