CFam Chemical Families Database
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You are searching for "CFAMM00434256" in compound.

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CFAM Mol ID CFAMM00434256
Family CFFBM15470 Prolyl endopeptidase inhibitor [(2S)-2-(pyrrolidine-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone family
Superfamily CFSAD439 Glutathione S-transferase Inhibitor Praziquantel Superfamily
Class CFCAD107 Class 107
External ID CHEMBL80136 External Source CHEMBL
PubChem CID 44316698 Functional Category Bioactive
Molecule Name [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(pyrrolidine-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]methanone
IUPAC Name [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(pyrrolidine-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]methanone
Synonyms CHEBI:225535
InChi InChI=1S/C22H27FN2O2/c23-16-7-3-14(4-8-16)18-13-19(18)21(26)25-17-9-5-15(6-10-17)20(25)22(27)24-11-1-2-12-24/h3-4,7-8,15,17-20H,1-2,5-6,9-13H2/t15?,17?,18-,19-,20+/m1/s1
InChiKey DOFJKSFPLOUYMN-FLLWYEDFSA-N
Formula C22H27FN2O2 Molecular Weight 370.46
Cross Link CHEMBL80136
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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