CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00095452" 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.

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CFAM Mol ID CFAMM00095452
Family CFFAD690 D(2) dopamine receptor ligand diphenylbutylpiperidine derivative Fluspirilene Family
Superfamily CFSAD230 dopamine receptor ligand diphenylbutylpiperidine derivative Pimozide Fluspirilene Superfamily
Class CFCAD220 Class 220
External ID CHEMBL1076242 External Source CHEMBL
PubChem CID 46879539 Functional Category Bioactive
Molecule Name AGN-PC-07Z98R
IUPAC Name 2-[2,2-dioxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2$l^{6},1,3-benzothiadiazol-1-yl]-N-methylacetamide
Synonyms CHEBI:711656;2-[2,2-dioxo-3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2$l^{6},1,3-benzothiadiazol-1-yl]-N-methylacetamide
InChi InChI=1S/C23H36N4O3S/c1-17(2)18-8-10-19(11-9-18)25-14-12-20(13-15-25)27-22-7-5-4-6-21(22)26(31(27,29)30)16-23(28)24-3/h4-7,17-20H,8-16H2,1-3H3,(H,24,28)
InChiKey DJCHJXJTDJZMOI-UHFFFAOYSA-N
Formula C23H36N4O3S Molecular Weight 448.62
Cross Link CHEMBL1076242
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
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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