CFam Chemical Families Database
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You are searching for "CFAMM00414125" in compound.

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CFAM Mol ID CFAMM00414125
Family CFFBM12152 Dipeptidyl peptidase 4 inhibitor 3-[2-[(4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)piperidin-1-yl]ethyl]benzoic acid family
Superfamily CFSID623 Proto-oncogene tyrosine-protein kinase Src Inhibitor RU85053 Superfamily
Class CFCCD110 Class 923
External ID CHEMBL221402 External Source CHEMBL
PubChem CID 16202788 Functional Category Bioactive
Molecule Name 3-[2-[(4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)piperidin-1-yl]ethyl]benzoic acid
IUPAC Name 3-[2-[(4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)piperidin-1-yl]ethyl]benzoic acid
Synonyms Piperidinone-Constrained Phenethylamine 35
InChi InChI=1S/C20H19F3N2O3/c21-15-9-17(23)16(22)7-13(15)14-8-19(26)25(10-18(14)24)5-4-11-2-1-3-12(6-11)20(27)28/h1-3,6-7,9,14,18H,4-5,8,10,24H2,(H,27,28)/t14-,18+/m1/s1
InChiKey QXKPQSPVHRYOGI-KDOFPFPSSA-N
Formula C20H19F3N2O3 Molecular Weight 392.37
Cross Link CHEMBL221402
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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