CFam Chemical Families Database
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You are searching for "CFAMM00101397" 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 CFAMM00101397
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 CHEMBL2021994 External Source CHEMBL
PubChem CID 11271303 Functional Category Bioactive
Molecule Name SureCN3971366
IUPAC Name 3-(8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;bromide
Synonyms AGN-PC-005PM9;3-(8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;bromide
InChi InChI=1S/C27H35N2.BrH/c1-3-4-17-29(2)25-15-16-26(29)19-22(18-25)20-27(21-28,23-11-7-5-8-12-23)24-13-9-6-10-14-24;/h5-14,22,25-26H,3-4,15-20H2,1-2H3;1H/q+1;/p-1/t22-,25?,26?,29-;
InChiKey SWCCFIKQJPITSF-GLDYSVIMSA-M
Formula C27H35BrN2 Molecular Weight 467.48
Cross Link CHEMBL2021994
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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