CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00418032" 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 CFAMM00418032
Family CFFBM12747 Substance-P receptor and Sodium-dependent serotonin transporter ligand N,N-diethyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-amine family
Superfamily CFSBM5168 Substance-P receptor and Nitric oxide synthase, brain Binder Superfamily
Class CFCID1495 Class 2845
External ID CHEMBL2333625 External Source CHEMBL
PubChem CID 71541373 Functional Category Bioactive
Molecule Name 2-[6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-yl]-2-azabicyclo[3.1.0]hexane
IUPAC Name 2-[6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridin-2-yl]-2-azabicyclo[3.1.0]hexane
Synonyms
InChi InChI=1S/C25H29F4N3O/c1-31-10-7-24(8-11-31,18-2-4-20(26)5-3-18)16-33-15-21-13-19(25(27,28)29)14-23(30-21)32-9-6-17-12-22(17)32/h2-5,13-14,17,22H,6-12,15-16H2,1H3
InChiKey MZXMDLGAXKNSBN-UHFFFAOYSA-N
Formula C25H29F4N3O Molecular Weight 463.51
Cross Link CHEMBL2333625
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
 

 

45918 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', 'CFAMM00418032'),None, txtsearch, CFAMM00418032|