CFam Chemical Families Database
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You are searching for "CFAMM00441368" in compound.

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CFAM Mol ID CFAMM00441368
Family CFFBM17252 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor ligand 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-pentoxybenzamide;hydrochloride family
Superfamily CFSBM1203 Pol polyprotein and Beta-1 adrenergic receptor Binder Superfamily
Class CFCAD322 Class 322
External ID CHEMBL559486 External Source CHEMBL
PubChem CID 45267631 Functional Category Bioactive
Molecule Name 2-cyclohexyloxy-4-[4-[(2S)-3-hydroxy-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-N-methylsulfonylbenzamide
IUPAC Name 2-cyclohexyloxy-4-[4-[(2S)-3-hydroxy-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-N-methylsulfonylbenzamide
Synonyms CHEBI:655602
InChi InChI=1S/C31H38N2O6S/c1-40(37,38)33-31(36)28-17-16-25(19-30(28)39-27-10-6-3-7-11-27)23-14-12-22(13-15-23)18-26(21-34)32-20-29(35)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,19,26-27,29,32,34-35H,3,6-7,10-11,18,20-21H2,1H3,(H,33,36)/t26-,29-/m0/s1
InChiKey AYJDIOYHPHNQIK-WNJJXGMVSA-N
Formula C31H38N2O6S Molecular Weight 566.71
Cross Link CHEMBL559486
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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National University of Singapore, Singapore


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