CFam Chemical Families Database
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You are searching for "CFAMM00256140" 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 CFAMM00256140
Family CFFID1976 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Ligand 3-{[2-(2-phenylethyl)phenoxy]methyl}pyridine Family
Superfamily CFSCD443 5-hydroxytryptamine receptor 1A and D(3) dopamine receptor Ligand Sarizotan Superfamily
Class CFCCD316 Class 1129
External ID 23317498 External Source PubChem
PubChem CID 23317498 Functional Category Patent Compound
Molecule Name AGN-PC-040F3U
IUPAC Name 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methylpyridin-1-ium
Synonyms 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methylpyridin-1-ium
InChi InChI=1S/C20H15BrNO/c1-22-10-8-14(9-11-22)17-12-15-4-2-3-5-19(15)23-20-7-6-16(21)13-18(17)20/h2-13H,1H3/q+1
InChiKey ZKHUVMYRCQXTLS-UHFFFAOYSA-N
Formula C20H15BrNO+ Molecular Weight 365.24
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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