CFam Chemical Families Database
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You are searching for "CFAMM00175913" in compound.

Total 1 results found.

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 CFAMM00175913
Family CFFID47 Dipeptidyl peptidase 4 Inhibitor Denagliptin Family
Superfamily CFSID33 Dipeptidyl peptidase 4 Inhibitor Denagliptin Superfamily
Class CFCCD411 Class 1224
External ID CHEMBL1209194 External Source CHEMBL
PubChem CID 10098568 Functional Category Bioactive
Molecule Name SureCN5513178
IUPAC Name [(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-[1-cyclohexyl-2-(diethylamino)ethyl]piperazin-1-yl]methanone
Synonyms CHEBI:782994
InChi InChI=1S/C31H50F2N4O/c1-6-34(7-2)22-29(23-11-9-8-10-12-23)35-15-17-36(18-16-35)30(38)27-21-37(31(3,4)5)20-26(27)25-14-13-24(32)19-28(25)33/h13-14,19,23,26-27,29H,6-12,15-18,20-22H2,1-5H3/t26-,27+,29?/m0/s1
InChiKey TYSIODYUHDFTRK-ZDCXKQOISA-N
Formula C31H50F2N4O Molecular Weight 532.75
Cross Link CHEMBL1209194
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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