CFam Chemical Families Database
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You are searching for "CFAMM00025226" in compound.

Total 1 results found.

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 CFAMM00025226
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL2112258 External Source CHEMBL
PubChem CID 71454448 Functional Category Bioactive
Molecule Name tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[[(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)heptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[[(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)heptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Synonyms
InChi InChI=1S/C35H59N5O6/c1-8-24(4)31(40-32(43)28(21-25-14-10-9-11-15-25)39-34(45)46-35(5,6)7)33(44)38-27(20-23(2)3)29(41)22-30(42)37-19-17-26-16-12-13-18-36-26/h12-13,16,18,23-25,27-29,31,41H,8-11,14-15,17,19-22H2,1-7H3,(H,37,42)(H,38,44)(H,39,45)(H,40,43)/t24-,27-,28-,29-,31-/m0/s1
InChiKey QZHUFCAPALTNSM-LRLYEUBCSA-N
Formula C35H59N5O6 Molecular Weight 645.87
Cross Link CHEMBL2112258
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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