CFam Chemical Families Database
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You are searching for "CFAMM00072391" 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 CFAMM00072391
Family CFFAD524 Noradrenergic re-uptake Inhibitor Reboxetine Family
Superfamily CFSAD152 monoamine reuptake and receptor binding Fluoxetine Reboxetine Bevantolol Nebivolol Superfamily
Class CFCAD149 Class 149
External ID CHEMBL42539 External Source CHEMBL
PubChem CID 44289525 Functional Category Bioactive
Molecule Name 2-(2,6-dimethoxyphenoxy)-N-[[3-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
IUPAC Name 2-(2,6-dimethoxyphenoxy)-N-[[3-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
Synonyms AGN-PC-073O45;CHEBI:164323;2-(2,6-dimethoxyphenoxy)-N-[[3-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
InChi InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3
InChiKey UNHGFWKSHHCRHF-UHFFFAOYSA-N
Formula C26H29NO5 Molecular Weight 435.51
Cross Link CHEMBL42539
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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