CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00399704" 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 CFAMM00399704
Family CFFBM10122 NS3 inhibitor CHEMBL201121 family
Superfamily CFSBM5041 Pol polyprotein and NS3 Binder Superfamily
Class CFCAD590 Class 590
External ID CHEMBL170618 External Source CHEMBL
PubChem CID 44383017 Functional Category Bioactive
Molecule Name SureCN5344510
IUPAC Name 2-methylpropyl (4R)-4-[[(2R)-3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(4-phenoxyphenyl)methylamino]propan-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate
Synonyms CHEBI:386143
InChi InChI=1S/C32H43N3O5S2/c1-23(2)18-39-32(38)35-22-42-21-29(35)31(37)34-28(20-41-19-25-9-5-3-6-10-25)30(36)33-17-24-13-15-27(16-14-24)40-26-11-7-4-8-12-26/h4,7-8,11-16,23,25,28-29H,3,5-6,9-10,17-22H2,1-2H3,(H,33,36)(H,34,37)/t28-,29-/m0/s1
InChiKey OWZASFXHYRZCBP-VMPREFPWSA-N
Formula C32H43N3O5S2 Molecular Weight 613.83
Cross Link CHEMBL170618
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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