CFam Chemical Families Database
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You are searching for "CFAMM00436068" in compound.

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CFAM Mol ID CFAMM00436068
Family CFFBM15826 Pol polyprotein inhibitor benzyl N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[2-[benzoyl(propan-2-yl)sulfamoyl]ethyl]oxiran-2-yl]-2-phenylethyl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate family
Superfamily CFSBM1934 Cathepsin B and Cathepsin L1 Binder Superfamily 3
Class CFCBM156 Class 3206
External ID 54154998 External Source PubChem
PubChem CID 54154998 Functional Category Patent Compound
Molecule Name SureCN10985235
IUPAC Name benzhydryl (6S,7S)-3-(acetyloxymethyl)-7-[(4-methylbenzoyl)amino]-5,5,8-trioxo-5$l^{6}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms
InChi InChI=1S/C31H28N2O8S/c1-19-13-15-23(16-14-19)28(35)32-25-29(36)33-26(24(17-40-20(2)34)18-42(38,39)30(25)33)31(37)41-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,25,27,30H,17-18H2,1-2H3,(H,32,35)/t25-,30-/m0/s1
InChiKey OKKIHGSUXCXIHU-QCDSWUKFSA-N
Formula C31H28N2O8S Molecular Weight 588.63
Cross Link
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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