CFam Chemical Families Database
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You are searching for "CFAMM00473694" in compound.

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CFAM Mol ID CFAMM00473694
Family CFFBM25275 Acetylcholine-binding protein and Soluble acetylcholine receptor ligand [(1R,5S)-8-[2-(3-hydroxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate family
Superfamily CFSBM6473 Mu-type opioid receptor and Kappa-type opioid receptor Binder Superfamily 14
Class CFCID1623 Class 2973
External ID CHEMBL1947062 External Source CHEMBL
PubChem CID 57391706 Functional Category Bioactive
Molecule Name [(1S,5R)-8-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate
IUPAC Name [(1S,5R)-8-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate
Synonyms CHEMBL1947205
InChi InChI=1S/C22H25NO5/c24-18-8-15(9-19(25)12-18)21(26)13-23-16-6-7-17(23)11-20(10-16)28-22(27)14-4-2-1-3-5-14/h1-5,8-9,12,16-17,20-21,24-26H,6-7,10-11,13H2/t16-,17+,20+,21?
InChiKey NVMXPYIQUOIQFV-DXEPCULOSA-N
Formula C22H25NO5 Molecular Weight 383.44
Cross Link CHEMBL1947205
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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