CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00101249" 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 CFAMM00101249
Family CFFAD753 Muscarinic acetylcholine receptor Ligand Mepenzolate Family
Superfamily CFSAD516 Muscarinic acetylcholine receptor ligand Oxyphencyclimine Mepenzolate Oxyphenonium Superfamily
Class CFCAD474 Class 474
External ID CHEMBL478348 External Source CHEMBL
PubChem CID 44584870 Functional Category Bioactive
Molecule Name ethyl 2-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)phenyl]acetate
IUPAC Name ethyl 2-[4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]phenyl]acetate
Synonyms ethyl 2-[4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]phenyl]acetate;AGN-PC-077OTI;SureCN9433372;GTPL3077;CHEBI:606454
InChi InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3
InChiKey YWKVMGDEOUPQGN-UHFFFAOYSA-N
Formula C19H23NO3 Molecular Weight 313.39
Cross Link CHEMBL478348
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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