CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00332931" 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 CFAMM00332931
Family CFFBM2340 Histamine H3 receptor and Potassium voltage-gated channel subfamily H member 2 ligand 4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;formic acid family
Superfamily CFSBM863 Melanin-concentrating hormone receptor 1 and Potassium voltage-gated channel subfamily H member 2 Binder Superfamily
Class CFCID1067 Class 2417
External ID CHEMBL394144 External Source CHEMBL
PubChem CID 24748991 Functional Category Bioactive
Molecule Name 4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;formic acid
IUPAC Name 4-(4-fluorobenzoyl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one;formic acid
Synonyms
InChi InChI=1S/C25H30FN3O3.CH2O2/c1-19-4-2-13-27(19)14-3-17-32-23-11-9-22(10-12-23)29-16-15-28(18-24(29)30)25(31)20-5-7-21(26)8-6-20;2-1-3/h5-12,19H,2-4,13-18H2,1H3;1H,(H,2,3)/t19-;/m1./s1
InChiKey JHRLWHBYMHILPR-FSRHSHDFSA-N
Formula C25H30FN3O3.CH2O2 Molecular Weight 485.55
Cross Link CHEMBL394144
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
 

 

42754 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', 'CFAMM00332931'),None, txtsearch, CFAMM00332931|