CFam Chemical Families Database
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You are searching for "CFAMM00043745" in compound.

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CFAM Mol ID CFAMM00043745
Family CFFAD249 Beta-1 adrenergic receptor Ligand Metoprolol Family
Superfamily CFSAD220 adrenergic receptor ligand Esmolol Metoprolol Superfamily
Class CFCAD149 Class 149
External ID ZINC04024058 External Source ZINC
PubChem CID 7075171 Functional Category Natural Product
Molecule Name AC1OE955
IUPAC Name [(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-[[(2R)-oxiran-2-yl]methyl]azanium
Synonyms ZINC04024058;[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-[[(2R)-oxiran-2-yl]methyl]azanium
InChi InChI=1S/C13H17NO3/c1-9(14-6-10-7-15-10)13-8-16-11-4-2-3-5-12(11)17-13/h2-5,9-10,13-14H,6-8H2,1H3/p+1/t9-,10-,13-/m1/s1
InChiKey ASWWZSSOKRTFCQ-GIPNMCIBSA-O
Formula C13H18NO3+ Molecular Weight 236.29
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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