CFam Chemical Families Database
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You are searching for "CFAMM00025205" in compound.

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CFAM Mol ID CFAMM00025205
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL316454 External Source CHEMBL
PubChem CID 5481049 Functional Category Bioactive
Molecule Name AC1LAIKL
IUPAC Name (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-3-ylmethyl)pentyl]-4-(thieno[3,2-b]thiophen-5-ylmethyl)piperazine-2-carboxamide
Synonyms CHEBI:253340;(2S)-N-tert-butyl-1-[(2S,4S)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(pyridin-3-ylmethyl)pentyl]-4-(thieno[3,2-b]thiophen-5-ylmethyl)piperazine-2-carboxamide;(S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-3-yl-pentyl]-4-thieno[3,2-b]thiophen-2-ylmethyl-piperazine-2-carboxylic acid tert-butylamide
InChi InChI=1S/C36H45N5O4S2/c1-36(2,3)39-35(45)29-22-40(21-27-18-32-31(47-27)10-14-46-32)12-13-41(29)20-26(42)16-25(15-23-7-6-11-37-19-23)34(44)38-33-28-9-5-4-8-24(28)17-30(33)43/h4-11,14,18-19,25-26,29-30,33,42-43H,12-13,15-17,20-22H2,1-3H3,(H,38,44)(H,39,45)/t25-,26+,29+,30-,33+/m1/s1
InChiKey SMBRIZZXTVLKIM-NKBKYVEPSA-N
Formula C36H45N5O4S2 Molecular Weight 675.90
Cross Link CHEMBL316454
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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