CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00016078" 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 CFAMM00016078
Family CFFAD74 D(2) dopamine receptor ligand benzothiazolylpiperazine derivative Ziprasidone family
Superfamily CFSAD72 D(2) dopamine receptor ligand benzothiazolylpiperazine derivative Ziprasidone Superfamily
Class CFCAD72 Class 72
External ID CHEMBL59878 External Source CHEMBL
PubChem CID 10693450 Functional Category Bioactive
Molecule Name [3-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
IUPAC Name [3-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
Synonyms CHEBI:195454
InChi InChI=1S/C24H28N4OS/c29-24(28-11-4-1-5-12-28)20-8-6-7-19(17-20)18-26-13-15-27(16-14-26)23-21-9-2-3-10-22(21)30-25-23/h2-3,6-10,17H,1,4-5,11-16,18H2
InChiKey NBQHGNXQTOFSDN-UHFFFAOYSA-N
Formula C24H28N4OS Molecular Weight 420.57
Cross Link CHEMBL59878
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
 

 

27759 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', 'CFAMM00016078'),None, txtsearch, CFAMM00016078|