CFam Chemical Families Database
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You are searching for "CFAMM00025123" in compound.

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CFAM Mol ID CFAMM00025123
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL156839 External Source CHEMBL
PubChem CID 5479481 Functional Category Bioactive
Molecule Name AC1NUIBT
IUPAC Name (2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2S)-2-(pyridine-4-carbonylamino)cyclohexyl]heptanediamide
Synonyms CHEBI:357849;(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2S)-2-(pyridine-4-carbonylamino)cyclohexyl]heptanediamide;4-Hydroxy-2,6-bis(phenylmethyl)-N,N'-bis[2-[(4-pyridinylcarbonyl)amino]cyclohexyl]heptanediamide, [1-S-[1.alpha.[2S*,6S*,7(1R*,2R*)]2.beta.]]
InChi InChI=1S/C45H54N6O5/c52-37(29-35(27-31-11-3-1-4-12-31)44(55)50-40-17-9-7-15-38(40)48-42(53)33-19-23-46-24-20-33)30-36(28-32-13-5-2-6-14-32)45(56)51-41-18-10-8-16-39(41)49-43(54)34-21-25-47-26-22-34/h1-6,11-14,19-26,35-41,52H,7-10,15-18,27-30H2,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t35-,36-,38+,39+,40+,41+/m1/s1
InChiKey HUBIEGVWOGXGJF-HUQFNPNXSA-N
Formula C45H54N6O5 Molecular Weight 758.95
Cross Link CHEMBL156839
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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