CFam Chemical Families Database
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You are searching for "CFAMM00307134" in compound.

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CFAM Mol ID CFAMM00307134
Family CFFBM96 Prothrombin inhibitor 2-[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide family
Superfamily CFSBM66 Prothrombin and Beta-lactamase Binder Superfamily 2
Class CFCBM27 Class 3077
External ID CHEMBL210621 External Source CHEMBL
PubChem CID 11526865 Functional Category Bioactive
Molecule Name (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-2-[4-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-4-oxobutanamide;2,2,2-trifluoroacetic acid
IUPAC Name (2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-2-[4-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-4-oxobutanamide;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C23H27FN6O2.C2HF3O2/c1-14-10-17(11-30-21(14)26-13-27-30)15-4-6-16(7-5-15)19(22(31)28(2)3)20(25)23(32)29-9-8-18(24)12-29;3-2(4,5)1(6)7/h4-7,10-11,13,18-20H,8-9,12,25H2,1-3H3;(H,6,7)/t18-,19-,20-;/m0./s1
InChiKey XITPHNDEVFYVCC-HBSNOMOYSA-N
Formula C25H28F4N6O4 Molecular Weight 552.52
Cross Link CHEMBL210621
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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