CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00176012" 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 CFAMM00176012
Family CFFID47 Dipeptidyl peptidase 4 Inhibitor Denagliptin Family
Superfamily CFSID33 Dipeptidyl peptidase 4 Inhibitor Denagliptin Superfamily
Class CFCCD411 Class 1224
External ID CHEMBL238190 External Source CHEMBL
PubChem CID 11676224 Functional Category Bioactive
Molecule Name SureCN13412168
IUPAC Name (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-[4-(4-fluorophenyl)cyclohexyl]-N,N-dimethyl-4-oxobutanamide
Synonyms CHEMBL237972;CHEBI:499119;CHEBI:499122
InChi InChI=1S/C22H30F3N3O2/c1-27(2)20(29)18(19(26)21(30)28-12-11-22(24,25)13-28)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15/h7-10,14,16,18-19H,3-6,11-13,26H2,1-2H3/t14-,16-,18-,19-/m0/s1
InChiKey ZVYHUXGREFPCKG-CBVHJVASSA-N
Formula C22H30F3N3O2 Molecular Weight 425.49
Cross Link CHEMBL238190
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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