CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00046196" 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.

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CFAM Mol ID CFAMM00046196
Family CFFAD281 Muscarinic acetylcholine receptor M2 ligand Tropane alkaloid Scopolamine Family
Superfamily CFSAD248 Muscarinic acetylcholine receptor ligand Tropane alkaloid Atropine Scopolamine Superfamily
Class CFCAD238 Class 238
External ID ZINC16041975 External Source ZINC
PubChem CID 1798513 Functional Category Natural Product
Molecule Name AC1LXBQJ
IUPAC Name [(1R,5S)-8-(4-bromobutyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
Synonyms ZINC16041975;[(1R,5S)-8-(4-bromobutyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
InChi InChI=1S/C21H31BrNO3/c1-23(12-6-5-11-22)17-9-10-18(23)14-19(13-17)26-21(25)20(15-24)16-7-3-2-4-8-16/h2-4,7-8,17-20,24H,5-6,9-15H2,1H3/q+1/t17-,18+,19?,20-,23?/m0/s1
InChiKey PQDPREKWAAZKID-LJCXZREGSA-N
Formula C21H31BrNO3+ Molecular Weight 425.38
Cross Link
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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