CFam Chemical Families Database
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You are searching for "CFAMM00433669" in compound.

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CFAM Mol ID CFAMM00433669
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 CHEMBL75310 External Source CHEMBL
PubChem CID 462736 Functional Category Bioactive
Molecule Name AC1LA6QA
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(6-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms CHEBI:218100;(2R,3R)-2-Isopropyl-1,1-dioxidotetrahydro-3-thienyl ((1S,2R)-1-benzyl-3-{(2S)-2-[(tert-butylamino)carbonyl]-4-[(6-methylpyridin-3-yl)methyl]piperazin-1-yl}-2-hydroxypropyl)carbamate;[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(6-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C34H51N5O6S/c1-23(2)31-30(14-17-46(31,43)44)45-33(42)36-27(18-25-10-8-7-9-11-25)29(40)22-39-16-15-38(20-26-13-12-24(3)35-19-26)21-28(39)32(41)37-34(4,5)6/h7-13,19,23,27-31,40H,14-18,20-22H2,1-6H3,(H,36,42)(H,37,41)/t27-,28-,29+,30+,31+/m0/s1
InChiKey DGGXBEKTNLTNMJ-OXMBMXHISA-N
Formula C34H51N5O6S Molecular Weight 657.86
Cross Link CHEMBL75310
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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