CFam Chemical Families Database
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You are searching for "CFAMM00435902" 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 CFAMM00435902
Family CFFBM15776 Pol polyprotein inhibitor (2R,3R,4R,5R)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(thiophen-2-ylsulfanyl)hexanediamide family
Superfamily CFSBM6694 Pol polyprotein Binder Superfamily 47
Class CFCBM26 Class 3076
External ID CHEMBL435740 External Source CHEMBL
PubChem CID 6539250 Functional Category Bioactive
Molecule Name C2-symmetric compound 16
IUPAC Name (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis[(E)-3-thiophen-3-ylprop-2-enoxy]hexanediamide
Synonyms AC1O6ZCK;(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis[(E)-3-thiophen-3-ylprop-2-enoxy]hexanediamide
InChi InChI=1S/C38H40N2O8S2/c41-29-19-25-9-1-3-11-27(25)31(29)39-37(45)35(47-15-5-7-23-13-17-49-21-23)33(43)34(44)36(48-16-6-8-24-14-18-50-22-24)38(46)40-32-28-12-4-2-10-26(28)20-30(32)42/h1-14,17-18,21-22,29-36,41-44H,15-16,19-20H2,(H,39,45)(H,40,46)/b7-5+,8-6+/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
InChiKey TXDXOHWBGXPYCM-YTYKLZEWSA-N
Formula C38H40N2O8S2 Molecular Weight 716.86
Cross Link CHEMBL435740
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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