CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00449948" 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 CFAMM00449948
Family CFFBM18946 Sodium-dependent noradrenaline transporter and Sodium-dependent serotonin transporter inhibitor SureCN4091725 family
Superfamily CFSBM7068 Sodium-dependent noradrenaline transporter and Mineralocorticoid receptor Binder Superfamily
Class CFCCD120 Class 933
External ID CHEMBL605990 External Source CHEMBL
PubChem CID 45140167 Functional Category Bioactive
Molecule Name SureCN4077343
IUPAC Name (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-2-ol;hydrochloride
Synonyms CHEBI:703329
InChi InChI=1S/C22H27FN2O.ClH/c1-24-14-20(26)21(16-7-6-8-17(23)13-16)25-15-22(11-4-5-12-22)18-9-2-3-10-19(18)25;/h2-3,6-10,13,20-21,24,26H,4-5,11-12,14-15H2,1H3;1H/t20-,21+;/m1./s1
InChiKey VKFRVICFXISTJZ-BHDTVMLSSA-N
Formula C22H28ClFN2O Molecular Weight 390.92
Cross Link CHEMBL605990
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
 

 

38802 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', 'CFAMM00449948'),None, txtsearch, CFAMM00449948|