CFam Chemical Families Database
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You are searching for "CFAMM00422721" in compound.

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CFAM Mol ID CFAMM00422721
Family CFFBM13511 Dipeptidyl peptidase 4 and Dipeptidyl peptidase 9 inhibitor (2S)-1-[(2S)-2-amino-3-[4-[1-[(3-fluorophenyl)methyl]triazol-4-yl]phenyl]propanoyl]pyrrolidine-2-carbonitrile;hydrochloride family
Superfamily CFSBM5590 Prolyl endopeptidase and Dipeptidyl peptidase 4 Binder Superfamily 2
Class CFCBM220 Class 3270
External ID CHEMBL2418628 External Source CHEMBL
PubChem CID 72164947 Functional Category Bioactive
Molecule Name (2S)-1-[(2S)-2-amino-3-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]phenyl]propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
IUPAC Name (2S)-1-[(2S)-2-amino-3-[4-[1-[(4-chlorophenyl)methyl]triazol-4-yl]phenyl]propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
Synonyms
InChi InChI=1S/C23H23ClN6O.ClH/c24-19-9-5-17(6-10-19)14-29-15-22(27-28-29)18-7-3-16(4-8-18)12-21(26)23(31)30-11-1-2-20(30)13-25;/h3-10,15,20-21H,1-2,11-12,14,26H2;1H/t20-,21-;/m0./s1
InChiKey KOURGISIEAPLLJ-GUTACTQSSA-N
Formula C23H24Cl2N6O Molecular Weight 471.38
Cross Link CHEMBL2418628
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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