CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00399297" 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 CFAMM00399297
Family CFFBM10061 NS3 inhibitor Proline-Based Macrocycle 24 family
Superfamily CFSBM5041 Pol polyprotein and NS3 Binder Superfamily
Class CFCAD590 Class 590
External ID CHEMBL377561 External Source CHEMBL
PubChem CID 16072906 Functional Category Bioactive
Molecule Name CHEMBL377561
IUPAC Name
Synonyms CHEBI:453815;tyl]-18-methoxy-11,14-dioxo-, (7R,9S,12S)-
InChi InChI=1S/C43H58N6O10/c1-5-13-33(39(52)41(54)44-25-36(51)47-37(42(55)48(2)3)28-14-8-6-9-15-28)45-40(53)34-24-32-26-49(34)43(56)38(29-16-10-7-11-17-29)46-35(50)22-27-20-30(57-4)23-31(21-27)58-18-12-19-59-32/h6,8-9,14-15,20-21,23,29,32-34,37-38H,5,7,10-13,16-19,22,24-26H2,1-4H3,(H,44,54)(H,45,53)(H,46,50)(H,47,51)/t32-,33?,34+,37+,38+/m1/s1
InChiKey ZEYCJVJHDGZUKD-UYEJHXQVSA-N
Formula C43H58N6O10 Molecular Weight 818.95
Cross Link CHEMBL377561
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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