CFam Chemical Families Database
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You are searching for "CFAMM00395242" in compound.

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CFAM Mol ID CFAMM00395242
Family CFFBM9420 Neuronal acetylcholine receptor subunit alpha-7 and Neuronal acetylcholine receptor subunit beta-2 ligand 5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide family
Superfamily CFSBM4697 Neuronal acetylcholine receptor subunit alpha-7 and Cholinesterase Binder Superfamily
Class CFCID1186 Class 2536
External ID ZINC02091048 External Source ZINC
PubChem CID 1748083 Functional Category Natural Product
Molecule Name AC1LX9OQ
IUPAC Name (E)-N-[(2S)-2-pyridin-3-ylpiperidine-1-carbothioyl]-3-thiophen-2-ylprop-2-enamide
Synonyms ZINC02091048;(E)-N-[(2S)-2-pyridin-3-ylpiperidine-1-carbothioyl]-3-thiophen-2-ylprop-2-enamide
InChi InChI=1S/C18H19N3OS2/c22-17(9-8-15-6-4-12-24-15)20-18(23)21-11-2-1-7-16(21)14-5-3-10-19-13-14/h3-6,8-10,12-13,16H,1-2,7,11H2,(H,20,22,23)/b9-8+/t16-/m0/s1
InChiKey HGYVQVIQIILDSI-FDMDGMSGSA-N
Formula C18H19N3OS2 Molecular Weight 357.49
Cross Link
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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