CFam Chemical Families Database
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You are searching for "CFAMM00388738" 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 CFAMM00388738
Family CFFBM8561 Sigma non-opioid intracellular receptor 1 and Vesicular acetylcholine transporter ligand [1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone family
Superfamily CFSBM4571 Vesicular acetylcholine transporter and Sigma non-opioid intracellular receptor 1 Binder Superfamily 3
Class CFCBM1602 Class 4652
External ID CHEMBL2385889 External Source CHEMBL
PubChem CID 71734039 Functional Category Bioactive
Molecule Name [2-fluoro-4-[2-[4-(trideuteriomethoxy)phenyl]ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
IUPAC Name [2-fluoro-4-[2-[4-(trideuteriomethoxy)phenyl]ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
Synonyms
InChi InChI=1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1/i1D3
InChiKey QBCRLDPMQHPGIM-JCNGFBMWSA-N
Formula C21H17D3FNO3 Molecular Weight 356.36
Cross Link CHEMBL2385889
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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