CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00173064" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00173064
Family CFFCD845 Muscarinic acetylcholine receptor Ligand Umeclidinium Family
Superfamily CFSAD89 Biogenic amine receptor ligand Terfenadine Trihexyphenidyl Superfamily
Class CFCAD89 Class 89
External ID CHEMBL524119 External Source CHEMBL
PubChem CID 42626016 Functional Category Bioactive
Molecule Name [1-[2-[(3-bromophenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide
IUPAC Name [1-[2-[(3-bromophenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide
Synonyms CHEBI:599382;AGN-PC-069500;[1-[2-[(3-bromophenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol;bromide
InChi InChI=1S/C29H33BrNO2.BrH/c30-27-13-7-8-24(22-27)23-33-21-20-31-17-14-28(15-18-31,16-19-31)29(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-13,22,32H,14-21,23H2;1H/q+1;/p-1
InChiKey ZZGRUJIGZVAXHU-UHFFFAOYSA-M
Formula C29H33Br2NO2 Molecular Weight 587.39
Cross Link CHEMBL524119
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
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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