CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00492035" 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 CFAMM00492035
Family CFFBM30495 Acetylcholine-binding protein and Neuronal acetylcholine receptor subunit alpha-7 ligand (2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol family
Superfamily CFSBM7020 Acetylcholine-binding protein and Neuronal acetylcholine receptor subunit alpha-6 Binder Superfamily
Class CFCAD484 Class 484
External ID ZINC55142305 External Source ZINC
PubChem CID 1509262 Functional Category Natural Product
Molecule Name AC1LTJBB
IUPAC Name 1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-yl]prop-1-ynyl]cycloheptan-1-ol
Synonyms ZINC55142305;1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-yl]prop-1-ynyl]cycloheptan-1-ol
InChi InChI=1S/C20H28N2O/c23-20(11-4-1-2-5-12-20)13-8-16-22-15-6-3-10-19(22)18-9-7-14-21-17-18/h7,9,14,17,19,23H,1-6,10-12,15-16H2/t19-/m0/s1
InChiKey QIUQYYZJIZDBNU-IBGZPJMESA-N
Formula C20H28N2O Molecular Weight 312.45
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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