CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161361" 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 CFAMM00161361
Family CFFCD507 Tumor necrosis factor Inhibitor Talactoferrin Alfa Family
Superfamily CFSCD464 Tumor necrosis factor Inhibitor Talactoferrin Alfa Superfamily
Class CFCCD148 Class 961
External ID CHEMBL190454 External Source CHEMBL
PubChem CID 49797042 Functional Category Bioactive
Molecule Name (2S,3S)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetic acid
IUPAC Name (2S,3S)-2-amino-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C14H18ClFN2O.C2HF3O2/c1-9(10-2-4-11(15)5-3-10)13(17)14(19)18-7-6-12(16)8-18;3-2(4,5)1(6)7/h2-5,9,12-13H,6-8,17H2,1H3;(H,6,7)/t9-,12-,13-;/m0./s1
InChiKey JNWMZYMQBGCTKT-USHQGOFLSA-N
Formula C16H19ClF4N2O3 Molecular Weight 398.78
Cross Link CHEMBL190454
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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