CFam Chemical Families Database
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You are searching for "CFAMM00451078" in compound.

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CFAM Mol ID CFAMM00451078
Family CFFBM19228 Pol polyprotein inhibitor (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanamide family
Superfamily CFSBM7510 Pol polyprotein inhibitor (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanamide Family
Class CFCID1060 Class 2410
External ID CHEMBL66085 External Source CHEMBL
PubChem CID 44305298 Functional Category Bioactive
Molecule Name (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanamide
IUPAC Name (2S)-N-[(2S,3R,4R)-3-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]-3,3-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanamide
Synonyms
InChi InChI=1S/C39H49N7O6S/c1-39(2,3)35(43-31(48)22-53-38-45-41-23-46(38)4)37(51)42-29(19-24-11-7-6-8-12-24)34(49)33(40-21-25-15-17-27(52-5)18-16-25)36(50)44-32-28-14-10-9-13-26(28)20-30(32)47/h6-18,23,29-30,32-35,40,47,49H,19-22H2,1-5H3,(H,42,51)(H,43,48)(H,44,50)/t29-,30+,32?,33+,34+,35+/m0/s1
InChiKey PRURRKCXCCQUQP-WIGNXOGQSA-N
Formula C39H49N7O6S Molecular Weight 743.91
Cross Link CHEMBL66085
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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National University of Singapore, Singapore


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