CFam Chemical Families Database
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You are searching for "CFAMM00101402" 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 CFAMM00101402
Family CFFAD758 Muscarinic acetylcholine receptor M3 Ligand Diphemanil Methylsulfate Family
Superfamily CFSAD637 Muscarinic acetylcholine receptor M3 Ligand Diphemanil Methylsulfate Superfamily
Class CFCAD578 Class 578
External ID CHEMBL2023749 External Source CHEMBL
PubChem CID 11442668 Functional Category Bioactive
Molecule Name 3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile;bromide
IUPAC Name 3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile;bromide
Synonyms CHEMBL2023760;SureCN3968699;AGN-PC-0097AQ;3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile;bromide
InChi InChI=1S/C27H33N2.BrH/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24;/h2-11,21-22,25-26H,12-19H2,1H3;1H/q+1;/p-1/t22-,25?,26?,29?;
InChiKey XKRKFRNMCTYSTF-RBYKITECSA-M
Formula C27H33BrN2 Molecular Weight 465.47
Cross Link CHEMBL2023749
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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