CFam Chemical Families Database
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You are searching for "CFAMM00307141" in compound.

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CFAM Mol ID CFAMM00307141
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 CHEMBL401378 External Source CHEMBL
PubChem CID 44443365 Functional Category Bioactive
Molecule Name (1R)-2-[(3R,4R)-4-amino-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carbonyl]cyclopentane-1-carbonitrile
IUPAC Name (1R)-2-[(3R,4R)-4-amino-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carbonyl]cyclopentane-1-carbonitrile
Synonyms CHEBI:515831
InChi InChI=1S/C21H26N6O/c1-14-7-15(5-6-20(14)27-13-24-12-25-27)9-26-10-18(19(23)11-26)21(28)17-4-2-3-16(17)8-22/h5-7,12-13,16-19H,2-4,9-11,23H2,1H3/t16-,17?,18+,19-/m0/s1
InChiKey WWBBXKLXGXOTBS-GWAVRBHSSA-N
Formula C21H26N6O Molecular Weight 378.47
Cross Link CHEMBL401378
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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