CFam Chemical Families Database
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You are searching for "CFAMM00147221" 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 CFAMM00147221
Family CFFCD265 Dipeptidyl peptidase 4 Inhibitor Alogliptin Family
Superfamily CFSCD241 Dipeptidyl peptidase 4 Inhibitor Alogliptin Superfamily
Class CFCCD182 Class 995
External ID CHEMBL1650404 External Source CHEMBL
PubChem CID 11151568 Functional Category Bioactive
Molecule Name SureCN204350
IUPAC Name 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-6-oxopyrimidin-1-yl]methyl]benzonitrile
Synonyms CHEBI:1162123
InChi InChI=1S/C17H18FN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
InChiKey YEBKYXHNDLEMKJ-CQSZACIVSA-N
Formula C17H18FN5O Molecular Weight 327.36
Cross Link CHEMBL1650404
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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