CFam Chemical Families Database
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You are searching for "CFAMM00513191" in compound.

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CFAM Mol ID CFAMM00513191
Family CFFBM39264 Beta-2 adrenergic receptor and Beta-1 adrenergic receptor ligand SureCN10921768 family
Superfamily CFSBM2023 Beta-2 adrenergic receptor and Beta-1 adrenergic receptor Binder Superfamily
Class CFCBM775 Class 3825
External ID CHEMBL275812 External Source CHEMBL
PubChem CID 3069778 Functional Category Bioactive
Molecule Name BRN 5613849
IUPAC Name 1-(tert-butylamino)-3-[6-chloro-2-(1-imidazol-1-ylethenyl)-3,4-dimethylphenoxy]propan-2-ol
Synonyms 2-Propanol, 3-(tert-butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-;3-(tert-Butylamino)-1-(2-chloro-4,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-2-propanol;AC1MII26;LS-121819;1-(tert-butylamino)-3-[6-chloro-2-(1-imidazol-1-ylethenyl)-3,4-dimethylphenoxy]propan-2-ol;85128-18-3
InChi InChI=1S/C20H28ClN3O2/c1-13-9-17(21)19(26-11-16(25)10-23-20(4,5)6)18(14(13)2)15(3)24-8-7-22-12-24/h7-9,12,16,23,25H,3,10-11H2,1-2,4-6H3
InChiKey JEZSFPSHLDVUFY-UHFFFAOYSA-N
Formula C20H28ClN3O2 Molecular Weight 377.91
Cross Link CHEMBL275812
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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