CFam Chemical Families Database
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You are searching for "CFAMM00301558" in compound.

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CFAM Mol ID CFAMM00301558
Family CFFID4036 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(2-methylpyridine)methylphenidate Family
Superfamily CFSID2736 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(2-methylpyridine)methylphenidate Superfamily
Class CFCCD314 Class 1127
External ID CHEMBL1921919 External Source CHEMBL
PubChem CID 44552684 Functional Category Bioactive
Molecule Name [(3R)-1-[3-(2-methylpyridin-4-yl)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
IUPAC Name [(3R)-1-[3-(2-methylpyridin-4-yl)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
Synonyms SureCN13573930
InChi InChI=1S/C30H42N3O2/c1-24-22-25(13-16-31-24)10-9-19-33-20-14-26(15-21-33)28(23-33)35-29(34)30(2,27-11-5-3-6-12-27)32-17-7-4-8-18-32/h3,5-6,11-13,16,22,26,28H,4,7-10,14-15,17-21,23H2,1-2H3/q+1/t26?,28-,30-,33?/m0/s1
InChiKey DYBHRYASVPRHCT-KIKKPEDASA-N
Formula C30H42N3O2 Molecular Weight 476.67
Cross Link CHEMBL1921919
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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