CFam Chemical Families Database
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You are searching for "CFAMM00433670" in compound.

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CFAM Mol ID CFAMM00433670
Family CFFBM15364 Pol polyprotein inhibitor [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-methylpyridin-4-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate family
Superfamily CFSBM24 Pol polyprotein and Cathepsin B Binder Superfamily
Class CFCAD134 Class 134
External ID CHEMBL72385 External Source CHEMBL
PubChem CID 44312017 Functional Category Bioactive
Molecule Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2,6-diethylpyridin-4-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2,6-diethylpyridin-4-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms CHEBI:215328
InChi InChI=1S/C37H57N5O6S/c1-8-28-19-27(20-29(9-2)38-28)22-41-16-17-42(31(23-41)35(44)40-37(5,6)7)24-32(43)30(21-26-13-11-10-12-14-26)39-36(45)48-33-15-18-49(46,47)34(33)25(3)4/h10-14,19-20,25,30-34,43H,8-9,15-18,21-24H2,1-7H3,(H,39,45)(H,40,44)/t30-,31-,32+,33+,34+/m0/s1
InChiKey DKDIFFWERNVBSM-VHFAWWBMSA-N
Formula C37H57N5O6S Molecular Weight 699.94
Cross Link CHEMBL72385
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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