CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00175996" 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 CFAMM00175996
Family CFFID47 Dipeptidyl peptidase 4 Inhibitor Denagliptin Family
Superfamily CFSID33 Dipeptidyl peptidase 4 Inhibitor Denagliptin Superfamily
Class CFCCD411 Class 1224
External ID CHEMBL192980 External Source CHEMBL
PubChem CID 49797076 Functional Category Bioactive
Molecule Name (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-one;2,2,2-trifluoroacetic acid
IUPAC Name (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-one;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C21H22F4N2O.C2HF3O2/c1-13(19(26)20(28)27-11-10-18(22)12-27)14-2-4-15(5-3-14)16-6-8-17(9-7-16)21(23,24)25;3-2(4,5)1(6)7/h2-9,13,18-19H,10-12,26H2,1H3;(H,6,7)/t13-,18-,19-;/m0./s1
InChiKey XNXIDAQEHBDYRO-KHMBKLQOSA-N
Formula C23H23F7N2O3 Molecular Weight 508.43
Cross Link CHEMBL192980
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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