CFam Chemical Families Database
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You are searching for "CFAMM00112544" in compound.

Total 1 results found.

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 CFAMM00112544
Family CFFAD909 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Family
Superfamily CFSAD765 Nicotinic acetylcholine receptor Ligand Benztropine Mesylate Superfamily
Class CFCAD682 Class 682
External ID CHEMBL282657 External Source CHEMBL
PubChem CID 44458351 Functional Category Bioactive
Molecule Name (2S,3S)-2-benzyl-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-azabicyclo[2.2.2]octane
IUPAC Name (2S,3S)-2-benzyl-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-azabicyclo[2.2.2]octane
Synonyms CHEBI:128960
InChi InChI=1S/C23H23F6NO/c24-22(25,26)18-10-16(11-19(13-18)23(27,28)29)14-31-21-17-6-8-30(9-7-17)20(21)12-15-4-2-1-3-5-15/h1-5,10-11,13,17,20-21H,6-9,12,14H2/t20-,21-/m0/s1
InChiKey JOTMNMNWQYWMOE-SFTDATJTSA-N
Formula C23H23F6NO Molecular Weight 443.43
Cross Link CHEMBL282657
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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