CFam Chemical Families Database
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You are searching for "CFAMM00319845" in compound.

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CFAM Mol ID CFAMM00319845
Family CFFBM1133 Beta-1 adrenergic receptor and Beta-2 adrenergic receptor ligand 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol family
Superfamily CFSBM646 Beta-lactamase and Beta-2 adrenergic receptor Binder Superfamily
Class CFCCD436 Class 1249
External ID CHEMBL177765 External Source CHEMBL
PubChem CID 13157380 Functional Category Bioactive
Molecule Name 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
IUPAC Name 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
Synonyms SureCN10552829;AGN-PC-00L79F;1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
InChi InChI=1S/C27H31N3O4S/c1-18(13-19-6-11-24(32-2)25(14-19)33-3)28-15-21(31)17-34-22-9-7-20(8-10-22)27-29-16-23(30-27)26-5-4-12-35-26/h4-12,14,16,18,21,28,31H,13,15,17H2,1-3H3,(H,29,30)
InChiKey HYHBOCVMHLENOI-UHFFFAOYSA-N
Formula C27H31N3O4S Molecular Weight 493.62
Cross Link CHEMBL177765
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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