CFam Chemical Families Database
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You are searching for "CFAMM00339352" in compound.

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CFAM Mol ID CFAMM00339352
Family CFFBM2921 Pol polyprotein and Protease inhibitor Palinavir family
Superfamily CFSAD139 HIV protease Inhibitor Saquinavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL13134 External Source CHEMBL
PubChem CID 72981 Functional Category Bioactive
Molecule Name Palinavir
IUPAC Name N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
Synonyms 154612-39-2;n-[(1s)-1-[[(1s,2r)-1-benzyl-3-[(2s,4r)-2-(tert-butylcarbamoyl)-4-(4-pyridylmethoxy)piperidino]-2-hydroxypropyl]carbamoyl]-2-methylpropyl]quinaldamide;SureCN6796;Palinavir (USAN/INN);AC1Q5FYE;UNII-632S1WU9Z2;AC1L2J25;BILA 2011 BS;BILA-2011-BS
InChi InChI=1S/C41H52N6O5/c1-27(2)37(45-38(49)33-16-15-30-13-9-10-14-32(30)43-33)40(51)44-34(23-28-11-7-6-8-12-28)36(48)25-47-22-19-31(52-26-29-17-20-42-21-18-29)24-35(47)39(50)46-41(3,4)5/h6-18,20-21,27,31,34-37,48H,19,22-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1
InChiKey RXBWRFDZXRAEJT-SZNOJMITSA-N
Formula C41H52N6O5 Molecular Weight 708.89
Cross Link CHEMBL13134
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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