CFam Chemical Families Database
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You are searching for "CFAMM00043760" in compound.

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CFAM Mol ID CFAMM00043760
Family CFFAD249 Beta-1 adrenergic receptor Ligand Metoprolol Family
Superfamily CFSAD220 adrenergic receptor ligand Esmolol Metoprolol Superfamily
Class CFCAD149 Class 149
External ID ZINC04025787 External Source ZINC
PubChem CID 7076054 Functional Category Natural Product
Molecule Name AC1OEADJ
IUPAC Name butyl-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]azanium
Synonyms ZINC04025787;butyl-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]azanium
InChi InChI=1S/C14H21NO2/c1-3-4-9-15-11(2)14-10-16-12-7-5-6-8-13(12)17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3/p+1/t11-,14-/m0/s1
InChiKey XFPBCCYIVGJTOP-FZMZJTMJSA-O
Formula C14H22NO2+ Molecular Weight 236.33
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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