CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00087543" 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 CFAMM00087543
Family CFFAD602 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Family
Superfamily CFSAD515 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Superfamily
Class CFCAD473 Class 473
External ID CHEMBL99038 External Source CHEMBL
PubChem CID 44330391 Functional Category Bioactive
Molecule Name propan-2-yl (3S,4R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name propan-2-yl (3S,4R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms CHEBI:261707
InChi InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3/t20?,21?,22-,23+/m0/s1
InChiKey VQGZQBKAHKWBNQ-ZSTXGWIISA-N
Formula C25H29F2NO3 Molecular Weight 429.50
Cross Link CHEMBL99038
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
 

 

27701 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', 'CFAMM00087543'),None, txtsearch, CFAMM00087543|