CFam Chemical Families Database
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You are searching for "CFAMM00167123" 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 CFAMM00167123
Family CFFCD641 Beta-2 adrenergic receptor Ligand Olodaterol Family
Superfamily CFSCD574 Beta-2 adrenergic receptor Ligand Olodaterol Superfamily
Class CFCCD406 Class 1219
External ID CHEMBL600400 External Source CHEMBL
PubChem CID 46232857 Functional Category Bioactive
Molecule Name AGN-PC-07RBAW
IUPAC Name 6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
Synonyms SureCN1720815;CHEBI:702984;6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
InChi InChI=1S/C21H23F3N2O5/c1-20(2,9-12-3-5-14(6-4-12)31-21(22,23)24)25-10-17(28)15-7-13(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
InChiKey XKZCRXWEEMHDDT-UHFFFAOYSA-N
Formula C21H23F3N2O5 Molecular Weight 440.41
Cross Link CHEMBL600400
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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