CFam Chemical Families Database
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You are searching for "CFAMM00175902" in compound.

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CFAM Mol ID CFAMM00175902
Family CFFID47 Dipeptidyl peptidase 4 Inhibitor Denagliptin Family
Superfamily CFSID33 Dipeptidyl peptidase 4 Inhibitor Denagliptin Superfamily
Class CFCCD411 Class 1224
External ID CHEMBL189067 External Source CHEMBL
PubChem CID 49797028 Functional Category Bioactive
Molecule Name (2S,3S)-3-amino-N-ethyl-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutanamide;2,2,2-trifluoroacetic acid
IUPAC Name (2S,3S)-3-amino-N-ethyl-2-[4-(4-fluorophenyl)phenyl]-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutanamide;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C22H25F2N3O2.C2HF3O2/c1-2-26-21(28)19(20(25)22(29)27-12-11-18(24)13-27)16-5-3-14(4-6-16)15-7-9-17(23)10-8-15;3-2(4,5)1(6)7/h3-10,18-20H,2,11-13,25H2,1H3,(H,26,28);(H,6,7)/t18-,19-,20-;/m0./s1
InChiKey CHTKDMNAVPLLMT-HBSNOMOYSA-N
Formula C24H26F5N3O4 Molecular Weight 515.47
Cross Link CHEMBL189067
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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