CFam Chemical Families Database
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You are searching for "CFAMM00382156" in compound.

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CFAM Mol ID CFAMM00382156
Family CFFBM7677 Pol polyprotein inhibitor Sulfone deriv. 31 family
Superfamily CFSBM1 Renin and Pol polyprotein Binder Superfamily
Class CFCAD168 Class 168
External ID CHEMBL310485 External Source CHEMBL
PubChem CID 462733 Functional Category Bioactive
Molecule Name ienyl ester
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(naphthalen-2-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms AC1LA6Q1;CHEBI:217544;N-(Naphth-Me)Piperaz, thienyl urethane deriv.;[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(naphthalen-2-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate;Carbamic acid, [(1S,2R)-3-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(2-naphthalenylmethyl)-1-piperazinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (2R,3R)-tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-th
InChi InChI=1S/C38H52N4O6S/c1-26(2)35-34(17-20-49(35,46)47)48-37(45)39-31(22-27-11-7-6-8-12-27)33(43)25-42-19-18-41(24-32(42)36(44)40-38(3,4)5)23-28-15-16-29-13-9-10-14-30(29)21-28/h6-16,21,26,31-35,43H,17-20,22-25H2,1-5H3,(H,39,45)(H,40,44)/t31-,32-,33+,34+,35+/m0/s1
InChiKey XUVNVRTUPCWABM-YQAAHHDASA-N
Formula C38H52N4O6S Molecular Weight 692.91
Cross Link CHEMBL310485
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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