CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00153346" 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 CFAMM00153346
Family CFFCD367 Beta-3 adrenergic receptor Ligand Amibegron Family
Superfamily CFSAD80 Adrenergic receptor ligand Propranolol Levobunolol Metipranolol Superfamily
Class CFCAD80 Class 80
External ID 15480499 External Source PubChem
PubChem CID 15480499 Functional Category Patent Compound
Molecule Name AGN-PC-00PDVF
IUPAC Name methyl 6-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate
Synonyms SureCN7486415;L015963;methyl 6-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate
InChi InChI=1S/C22H24F3NO5/c1-13(26-11-17(27)15-4-3-5-16(10-15)22(23,24)25)8-14-6-7-18-19(9-14)30-12-20(31-18)21(28)29-2/h3-7,9-10,13,17,20,26-27H,8,11-12H2,1-2H3
InChiKey LHHKQMUXLCJWMT-UHFFFAOYSA-N
Formula C22H24F3NO5 Molecular Weight 439.42
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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