CFam Chemical Families Database
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You are searching for "CFAMM00486122" in compound.

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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 CFAMM00486122
Family CFFBM28611 Dipeptidyl peptidase 4 inhibitor SureCN14523901 family
Superfamily CFSBM7669 Dipeptidyl peptidase 4 and Seprase Binder Superfamily 2
Class CFCBM886 Class 3936
External ID CHEMBL474768 External Source CHEMBL
PubChem CID 44565539 Functional Category Bioactive
Molecule Name N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methylbutanamide
IUPAC Name N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methylbutanamide
Synonyms CHEBI:559093
InChi InChI=1S/C21H27ClN4O2/c1-21(2,24-13-20(28)26-8-4-7-16(26)12-23)11-19(27)25-18-10-17(18)14-5-3-6-15(22)9-14/h3,5-6,9,16-18,24H,4,7-8,10-11,13H2,1-2H3,(H,25,27)/t16-,17-,18+/m0/s1
InChiKey LJVFBQDICZWIMG-OKZBNKHCSA-N
Formula C21H27ClN4O2 Molecular Weight 402.92
Cross Link CHEMBL474768
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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