CFam Chemical Families Database
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You are searching for "CFAMM00052237" 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 CFAMM00052237
Family CFFAD350 Beta-1 adrenergic receptor Ligand Oxprenolol Family
Superfamily CFSAD299 Beta-1 adrenergic receptor Ligand Oxprenolol Superfamily
Class CFCAD282 Class 282
External ID CHEMBL394255 External Source CHEMBL
PubChem CID 44431386 Functional Category Bioactive
Molecule Name AGN-PC-0769KN
IUPAC Name N,N-dimethyl-3-[[2-(oxan-4-ylidene)ethylamino]methyl]-2,4-dihydro-1,5-benzodioxepin-3-amine
Synonyms CHEBI:495668;N,N-dimethyl-3-[[2-(oxan-4-ylidene)ethylamino]methyl]-2,4-dihydro-1,5-benzodioxepin-3-amine
InChi InChI=1S/C19H28N2O3/c1-21(2)19(13-20-10-7-16-8-11-22-12-9-16)14-23-17-5-3-4-6-18(17)24-15-19/h3-7,20H,8-15H2,1-2H3
InChiKey TUWSHNPHYLLLCD-UHFFFAOYSA-N
Formula C19H28N2O3 Molecular Weight 332.44
Cross Link CHEMBL394255
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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