CFam Chemical Families Database
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You are searching for "CFAMM00377397" in compound.

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CFAM Mol ID CFAMM00377397
Family CFFBM7132 Dipeptidyl peptidase 4 inhibitor 3-[6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]benzoic acid family
Superfamily CFSBM3031 Dihydrofolate reductase and Egl nine homolog 1 Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL245585 External Source CHEMBL
PubChem CID 44440659 Functional Category Bioactive
Molecule Name AGN-PC-046QYR
IUPAC Name 3-[6-[3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]benzoic acid
Synonyms 3-[6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]benzoic acid
InChi InChI=1S/C21H17F3N4O2/c22-15-6-17(24)16(23)5-13(15)14-8-28(9-18(14)25)20-7-19(26-10-27-20)11-2-1-3-12(4-11)21(29)30/h1-7,10,14,18H,8-9,25H2,(H,29,30)
InChiKey PAEWYHLNDGOPKM-UHFFFAOYSA-N
Formula C21H17F3N4O2 Molecular Weight 414.38
Cross Link CHEMBL245585
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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