CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00113116" 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 CFAMM00113116
Family CFFAD921 Muscarinic acetylcholine receptor Ligand Mebeverine Family
Superfamily CFSAD775 Muscarinic acetylcholine receptor Ligand Mebeverine Superfamily
Class CFCAD333 Class 333
External ID ZINC16041235 External Source ZINC
PubChem CID 11860498 Functional Category Natural Product
Molecule Name ZINC00488024
IUPAC Name [(1S,5R)-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
Synonyms ZINC16041235
InChi InChI=1S/C19H27NO4/c1-4-9-20-14-6-7-15(20)12-16(11-14)24-19(21)13-5-8-17(22-2)18(10-13)23-3/h5,8,10,14-16H,4,6-7,9,11-12H2,1-3H3/p+1/t14-,15+,16?
InChiKey IPNSZFJWQTVXFT-XYPWUTKMSA-O
Formula C19H28NO4+ Molecular Weight 334.43
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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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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