CFam Chemical Families Database
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You are searching for "CFAMM00175914" in compound.

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CFAM Mol ID CFAMM00175914
Family CFFID47 Dipeptidyl peptidase 4 Inhibitor Denagliptin Family
Superfamily CFSID33 Dipeptidyl peptidase 4 Inhibitor Denagliptin Superfamily
Class CFCCD411 Class 1224
External ID CHEMBL1209191 External Source CHEMBL
PubChem CID 10098133 Functional Category Bioactive
Molecule Name [(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-[1-cyclohexyl-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methanone
IUPAC Name [(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-[1-cyclohexyl-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methanone
Synonyms CHEBI:782991
InChi InChI=1S/C30H48F2N4O/c1-21(2)33-18-28(22-9-7-6-8-10-22)34-13-15-35(16-14-34)29(37)26-20-36(30(3,4)5)19-25(26)24-12-11-23(31)17-27(24)32/h11-12,17,21-22,25-26,28,33H,6-10,13-16,18-20H2,1-5H3/t25-,26+,28?/m0/s1
InChiKey FVKCEDJRQYZWOJ-VEPNZUSMSA-N
Formula C30H48F2N4O Molecular Weight 518.73
Cross Link CHEMBL1209191
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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