CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00447049" 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 CFAMM00447049
Family CFFBM18401 Sigma non-opioid intracellular receptor 1 ligand AGN-PC-07BZ08 family
Superfamily CFSAD242 Histamine H1 receptor and Mu-type opioid receptor Binder Superfamily
Class CFCAD232 Class 232
External ID CHEMBL545678 External Source CHEMBL
PubChem CID 45260423 Functional Category Bioactive
Molecule Name AGN-PC-07BZ08
IUPAC Name 2-(4-phenylpiperidin-1-yl)ethyl 1-(4-cyanophenyl)cyclopentane-1-carboxylate;hydrochloride
Synonyms 2-(4-phenylpiperidin-1-yl)ethyl 1-(4-cyanophenyl)cyclopentane-1-carboxylate;hydrochloride
InChi InChI=1S/C26H30N2O2.ClH/c27-20-21-8-10-24(11-9-21)26(14-4-5-15-26)25(29)30-19-18-28-16-12-23(13-17-28)22-6-2-1-3-7-22;/h1-3,6-11,23H,4-5,12-19H2;1H
InChiKey FSDAVRUQJCVMEO-UHFFFAOYSA-N
Formula C26H31ClN2O2 Molecular Weight 438.99
Cross Link CHEMBL545678
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
 

 

27527 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', 'CFAMM00447049'),None, txtsearch, CFAMM00447049|