CFam Chemical Families Database
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You are searching for "CFAMM00429038" in compound.

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CFAM Mol ID CFAMM00429038
Family CFFBM14559 Pol polyprotein inhibitor Palinavir deriv. 13 family
Superfamily CFSBM6359 Caspase-3 and Caspase-7 Binder Superfamily 4
Class CFCID1099 Class 2449
External ID CHEMBL272599 External Source CHEMBL
PubChem CID 477521 Functional Category Bioactive
Molecule Name Palinavir deriv. 13
IUPAC Name (2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide
Synonyms AC1L9X1T;(2S,4R)-1-{(2R,3S)-3-[2-(2,6-Dimethyl-phenoxy)-ethanoylamino]-2-hydroxy-4-phenyl-butyl}-4-(pyridin-4-ylmethoxy)-piperidine-2-carboxylic acid tert-butylamide;(2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylmethoxy)piperidine-2-carboxamide
InChi InChI=1S/C36H48N4O5/c1-25-10-9-11-26(2)34(25)45-24-33(42)38-30(20-27-12-7-6-8-13-27)32(41)22-40-19-16-29(44-23-28-14-17-37-18-15-28)21-31(40)35(43)39-36(3,4)5/h6-15,17-18,29-32,41H,16,19-24H2,1-5H3,(H,38,42)(H,39,43)/t29-,30+,31+,32-/m1/s1
InChiKey YNTKPAFJCHPPOK-OKDNLZPVSA-N
Formula C36H48N4O5 Molecular Weight 616.79
Cross Link CHEMBL272599
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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