CFam Chemical Families Database
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You are searching for "CFAMM00407142" in compound.

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CFAM Mol ID CFAMM00407142
Family CFFBM11146 Dipeptidyl peptidase 4 inhibitor 2-cyanopyrrolidine 24b family
Superfamily CFSBM3205 Integrin beta-1 and Aldose reductase Binder Superfamily
Class CFCAD257 Class 257
External ID CHEMBL480154 External Source CHEMBL
PubChem CID 44568017 Functional Category Bioactive
Molecule Name ethyl 4-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]benzoate
IUPAC Name ethyl 4-[(1R,5S)-6-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]benzoate
Synonyms CHEBI:567415
InChi InChI=1S/C21H25FN4O3/c1-2-29-21(28)13-3-5-15(6-4-13)25-11-17-18(12-25)20(17)24-9-19(27)26-10-14(22)7-16(26)8-23/h3-6,14,16-18,20,24H,2,7,9-12H2,1H3/t14-,16-,17-,18+,20+/m0/s1
InChiKey KTNUSPOEGQOANN-AACLIANESA-N
Formula C21H25FN4O3 Molecular Weight 400.45
Cross Link CHEMBL480154
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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