CFam Chemical Families Database
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You are searching for "CFAMM00301611" in compound.

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CFAM Mol ID CFAMM00301611
Family CFFID4037 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(2-methylfuran)methylphenidate Family
Superfamily CFSID2635 Fatty-acid amide hydrolase 1 and Sodium-dependent dopamine transporter Binder Superfamily
Class CFCID1562 Class 2912
External ID CHEMBL1921912 External Source CHEMBL
PubChem CID 57397742 Functional Category Bioactive
Molecule Name [(3R)-1-[2-(1-benzofuran-2-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
IUPAC Name [(3R)-1-[2-(1-benzofuran-2-yl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
Synonyms
InChi InChI=1S/C31H39N2O3/c1-31(26-11-4-2-5-12-26,32-17-8-3-9-18-32)30(34)36-29-23-33(19-14-24(29)15-20-33)21-16-27-22-25-10-6-7-13-28(25)35-27/h2,4-7,10-13,22,24,29H,3,8-9,14-21,23H2,1H3/q+1/t24?,29-,31-,33?/m0/s1
InChiKey IINAHPOQUFMJIU-PMTRCUQQSA-N
Formula C31H39N2O3 Molecular Weight 487.65
Cross Link CHEMBL1921912
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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