CFam Chemical Families Database
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You are searching for "CFAMM00452209" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00452209
Family CFFBM19553 Pol polyprotein inhibitor (2R)-1-[(2R,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide family
Superfamily CFSBM696 Pol polyprotein Binder Superfamily 8
Class CFCBM26 Class 3076
External ID CHEMBL98289 External Source CHEMBL
PubChem CID 44328515 Functional Category Bioactive
Molecule Name (2R)-1-[(2R,4R)-4-benzyl-2-hydroxy-5-[(4-hydroxy-2,6-dimethylphenyl)methylamino]-5-oxopentyl]-N-tert-butyl-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide
IUPAC Name (2R)-1-[(2R,4R)-4-benzyl-2-hydroxy-5-[(4-hydroxy-2,6-dimethylphenyl)methylamino]-5-oxopentyl]-N-tert-butyl-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide
Synonyms CHEBI:257277
InChi InChI=1S/C34H46N4O6S2/c1-23-16-27(39)17-24(2)29(23)20-35-32(41)26(18-25-10-7-6-8-11-25)19-28(40)21-37-13-14-38(46(43,44)31-12-9-15-45-31)22-30(37)33(42)36-34(3,4)5/h6-12,15-17,26,28,30,39-40H,13-14,18-22H2,1-5H3,(H,35,41)(H,36,42)/t26-,28-,30-/m1/s1
InChiKey QFHSEPSATCMBAS-YQKLYGQBSA-N
Formula C34H46N4O6S2 Molecular Weight 670.88
Cross Link CHEMBL98289
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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