CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00087595" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00087595
Family CFFAD602 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Family
Superfamily CFSAD515 Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocaine Superfamily
Class CFCAD473 Class 473
External ID CHEMBL311144 External Source CHEMBL
PubChem CID 44316422 Functional Category Bioactive
Molecule Name methyl (3S,4R)-3-(2-hydroxy-4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name methyl (3S,4R)-3-(2-hydroxy-4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms CHEBI:224958
InChi InChI=1S/C17H20INO5/c1-19-10-4-6-12(19)15(17(22)23-2)14(8-10)24-16(21)11-5-3-9(18)7-13(11)20/h3,5,7,10,12,14-15,20H,4,6,8H2,1-2H3/t10?,12?,14-,15+/m0/s1
InChiKey QYYWMLHRGDGTBW-TVSZOZCSSA-N
Formula C17H20INO5 Molecular Weight 445.25
Cross Link CHEMBL311144
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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