CFam Chemical Families Database
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You are searching for "CFAMM00382151" in compound.

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CFAM Mol ID CFAMM00382151
Family CFFBM7677 Pol polyprotein inhibitor Sulfone deriv. 31 family
Superfamily CFSBM1 Renin and Pol polyprotein Binder Superfamily
Class CFCAD168 Class 168
External ID CHEMBL328233 External Source CHEMBL
PubChem CID 461629 Functional Category Bioactive
Molecule Name AC1LA4MO
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(thiolan-3-yl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms 1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 14;(2R,3R)-2-Isopropyl-1,1-dioxidotetrahydro-3-thienyl {(1S,2R)-1-benzyl-3-[(2S)-2-[(tert-butylamino)carbonyl]-4-(tetrahydro-3-thienyl)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-(thiolan-3-yl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C31H50N4O6S2/c1-21(2)28-27(12-16-43(28,39)40)41-30(38)32-24(17-22-9-7-6-8-10-22)26(36)19-35-14-13-34(23-11-15-42-20-23)18-25(35)29(37)33-31(3,4)5/h6-10,21,23-28,36H,11-20H2,1-5H3,(H,32,38)(H,33,37)/t23?,24-,25-,26+,27+,28+/m0/s1
InChiKey WXZWZEOFGKINDU-KBSKDMDSSA-N
Formula C31H50N4O6S2 Molecular Weight 638.88
Cross Link CHEMBL328233
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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