CFam Chemical Families Database
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You are searching for "CFAMM00451583" in compound.

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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 CFAMM00451583
Family CFFBM19364 Neuronal acetylcholine receptor subunit alpha-4 and Neuronal acetylcholine receptor subunit beta-2 ligand 5-[[(2S)-azetidin-2-yl]methoxy]-3-(6-bromopyridin-3-yl)-2-chloropyridine family
Superfamily CFSCD285 Neuronal acetylcholine receptor subunit alpha-4 Ligand Ispronicline Superfamily
Class CFCAD796 Class 796
External ID CHEMBL79515 External Source CHEMBL
PubChem CID 11486250 Functional Category Bioactive
Molecule Name 3-[(E)-2-(2-bromopyridin-4-yl)ethenyl]-2-chloro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
IUPAC Name 3-[(E)-2-(2-bromopyridin-4-yl)ethenyl]-2-chloro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
Synonyms CHEBI:230839
InChi InChI=1S/C17H17BrClN3O/c18-16-8-12(5-7-21-16)3-4-13-9-15(10-22-17(13)19)23-11-14-2-1-6-20-14/h3-5,7-10,14,20H,1-2,6,11H2/b4-3+/t14-/m0/s1
InChiKey XEVRRKNLTNXKTK-XGACYXMMSA-N
Formula C17H17BrClN3O Molecular Weight 394.69
Cross Link CHEMBL79515
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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