CFam Chemical Families Database
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You are searching for "CFAMM00393148" in compound.

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CFAM Mol ID CFAMM00393148
Family CFFBM9120 Dipeptidyl peptidase 4 and Dipeptidyl peptidase 2 inhibitor (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-[3-(tetrazol-1-yl)phenyl]phenyl]butanamide;2,2,2-trifluoroacetic acid family
Superfamily CFSBM66 Prothrombin and Beta-lactamase Binder Superfamily 2
Class CFCBM27 Class 3077
External ID CHEMBL191473 External Source CHEMBL
PubChem CID 49797014 Functional Category Bioactive
Molecule Name (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-[3-(tetrazol-1-yl)phenyl]phenyl]butanamide;2,2,2-trifluoroacetic acid
IUPAC Name (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-[3-(tetrazol-1-yl)phenyl]phenyl]butanamide;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C23H26FN7O2.C2HF3O2/c1-29(2)22(32)20(21(25)23(33)30-11-10-18(24)13-30)16-8-6-15(7-9-16)17-4-3-5-19(12-17)31-14-26-27-28-31;3-2(4,5)1(6)7/h3-9,12,14,18,20-21H,10-11,13,25H2,1-2H3;(H,6,7)/t18-,20-,21-;/m0./s1
InChiKey SIQYLVZSQPVCJP-PSLBYKFTSA-N
Formula C25H27F4N7O4 Molecular Weight 565.52
Cross Link CHEMBL191473
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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