CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00044688" 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 CFAMM00044688
Family CFFAD257 D(2) dopamine receptor Ligand Haloperidol Family
Superfamily CFSAD228 dopamine receptor ligand Haloperido,l opioid receptor ligand Loperamide Superfamily
Class CFCAD218 Class 218
External ID CHEMBL1160253 External Source CHEMBL
PubChem CID 46905356 Functional Category Bioactive
Molecule Name AGN-PC-080PK0
IUPAC Name 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;propanoic acid
Synonyms 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;propanoic acid
InChi InChI=1S/C21H23ClFNO2.C3H6O2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;1-2-3(4)5/h3-10,26H,1-2,11-15H2;2H2,1H3,(H,4,5)
InChiKey OWKDVFWTVSYAHW-UHFFFAOYSA-N
Formula C24H29ClFNO4 Molecular Weight 449.94
Cross Link CHEMBL1160253
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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