CFam Chemical Families Database
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You are searching for "CFAMM00421644" in compound.

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CFAM Mol ID CFAMM00421644
Family CFFBM13293 Dipeptidyl peptidase 4 inhibitor [(2S,4S)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone family
Superfamily CFSCD692 Dipeptidyl peptidase 4 Inhibitor Teneligliptin Superfamily
Class CFCCD490 Class 1303
External ID CHEMBL1077868 External Source CHEMBL
PubChem CID 46882903 Functional Category Bioactive
Molecule Name N-(5-chloropyridin-2-yl)-2-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-(ethylamino)amino]piperidin-1-yl]acetamide;hydrochloride
IUPAC Name N-(5-chloropyridin-2-yl)-2-[4-[[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-(ethylamino)amino]piperidin-1-yl]acetamide;hydrochloride
Synonyms CHEBI:717931
InChi InChI=1S/C20H28ClN7O2S.ClH/c1-2-24-28(12-20(30)27-14-31-13-17(27)9-22)16-5-7-26(8-6-16)11-19(29)25-18-4-3-15(21)10-23-18;/h3-4,10,16-17,24H,2,5-8,11-14H2,1H3,(H,23,25,29);1H/t17-;/m1./s1
InChiKey JWTBOZOCGYDIFZ-UNTBIKODSA-N
Formula C20H29Cl2N7O2S Molecular Weight 502.46
Cross Link CHEMBL1077868
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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