CFam Chemical Families Database
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You are searching for "CFAMM00071721" 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 CFAMM00071721
Family CFFAD515 HIV-1 protease Inhibitor Lopinavir Family
Superfamily CFSAD447 HIV-1 protease Inhibitor Lopinavir Superfamily
Class CFCAD412 Class 412
External ID CHEMBL54009 External Source CHEMBL
PubChem CID 5327443 Functional Category Bioactive
Molecule Name allophenylnorstatine deriv. 5
IUPAC Name (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
Synonyms AC1NS2DC;(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
InChi InChI=1S/C28H37N3O5S/c1-18-10-9-11-19(2)25(18)36-15-23(32)29-21(14-20-12-7-6-8-13-20)24(33)27(35)31-17-37-16-22(31)26(34)30-28(3,4)5/h6-13,21-22,24,33H,14-17H2,1-5H3,(H,29,32)(H,30,34)/t21-,22-,24-/m0/s1
InChiKey BAEPUUWETTZONO-FIXSFTCYSA-N
Formula C28H37N3O5S Molecular Weight 527.68
Cross Link CHEMBL54009
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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