CFam Chemical Families Database
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You are searching for "CFAMM00025140" in compound.

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CFAM Mol ID CFAMM00025140
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL1098669 External Source CHEMBL
PubChem CID 46236812 Functional Category Bioactive
Molecule Name N-[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-cyano-1-oxopropan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
IUPAC Name N-[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-cyano-1-oxopropan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
Synonyms CHEBI:728423
InChi InChI=1S/C32H43N7O6/c1-19(2)16-25(29(34)42)38-31(44)23(13-14-33)36-27(41)18-26(40)24(17-21-10-6-5-7-11-21)37-32(45)28(20(3)4)39-30(43)22-12-8-9-15-35-22/h5-12,15,19-20,23-26,28,40H,13,16-18H2,1-4H3,(H2,34,42)(H,36,41)(H,37,45)(H,38,44)(H,39,43)/t23-,24-,25-,26-,28-/m0/s1
InChiKey RKIWTLDZOIUSCX-MGAMHGSISA-N
Formula C32H43N7O6 Molecular Weight 621.73
Cross Link CHEMBL1098669
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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