CFam Chemical Families Database
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You are searching for "CFAMM00309908" in compound.

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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 CFAMM00309908
Family CFFBM292 Pol polyprotein inhibitor (2R,3R,4R,5R)-3,4-dihydroxy-N-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(phenylmethoxy)hexanediamide family
Superfamily CFSBM181 Pol polyprotein and Plasmepsin-1 Binder Superfamily
Class CFCBM35 Class 3085
External ID CHEMBL176888 External Source CHEMBL
PubChem CID 6539247 Functional Category Bioactive
Molecule Name C2-symmetric compound 13
IUPAC Name (2R,3R,4R,5R)-2,5-bis[(E)-3-(4-acetylphenyl)prop-2-enoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide
Synonyms AC1O6ZCE;(2R,3R,4R,5R)-2,5-bis[(E)-3-(4-acetylphenyl)prop-2-enoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide
InChi InChI=1S/C46H48N2O10/c1-27(49)31-19-15-29(16-20-31)9-7-23-57-43(45(55)47-39-35-13-5-3-11-33(35)25-37(39)51)41(53)42(54)44(58-24-8-10-30-17-21-32(22-18-30)28(2)50)46(56)48-40-36-14-6-4-12-34(36)26-38(40)52/h3-22,37-44,51-54H,23-26H2,1-2H3,(H,47,55)(H,48,56)/b9-7+,10-8+/t37-,38-,39+,40+,41-,42-,43-,44-/m1/s1
InChiKey WZXYHEYYJRGWNR-VVKCFMERSA-N
Formula C46H48N2O10 Molecular Weight 788.88
Cross Link CHEMBL176888
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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