CFam Chemical Families Database
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You are searching for "CFAMM00414533" in compound.

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CFAM Mol ID CFAMM00414533
Family CFFBM12229 Dipeptidyl peptidase 4 inhibitor (4R,5R)-5-amino-1-[6-(3-methylsulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)piperidin-2-one family
Superfamily CFSBM5708 Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 Binder Superfamily 4
Class CFCCD521 Class 1334
External ID CHEMBL362655 External Source CHEMBL
PubChem CID 44392039 Functional Category Bioactive
Molecule Name SureCN5423131
IUPAC Name 1-[6-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidine-3-carboxamide
Synonyms AGN-PC-075E0B;CHEBI:404971;1-[6-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidine-3-carboxamide
InChi InChI=1S/C26H27F3N4OS/c1-16(2)19-7-3-4-8-22(19)35-23-10-9-17(12-20(23)26(27,28)29)21-13-24(32-15-31-21)33-11-5-6-18(14-33)25(30)34/h3-4,7-10,12-13,15-16,18H,5-6,11,14H2,1-2H3,(H2,30,34)
InChiKey LNXNIMOXVDAPMR-UHFFFAOYSA-N
Formula C26H27F3N4OS Molecular Weight 500.58
Cross Link CHEMBL362655
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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