CFam Chemical Families Database
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You are searching for "CFAMM00320698" in compound.

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CFAM Mol ID CFAMM00320698
Family CFFBM1217 Pol polyprotein inhibitor (2S)-4-benzyl-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide family
Superfamily CFSBM696 Pol polyprotein Binder Superfamily 8
Class CFCBM26 Class 3076
External ID CHEMBL347500 External Source CHEMBL
PubChem CID 44366395 Functional Category Bioactive
Molecule Name (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-[(1-phenylcyclopropyl)methyl]piperazine-2-carboxamide
IUPAC Name (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-[(1-phenylcyclopropyl)methyl]piperazine-2-carboxamide
Synonyms CHEBI:349853
InChi InChI=1S/C40H52N4O4/c1-39(2,3)42-38(48)34-26-43(27-40(18-19-40)31-15-8-5-9-16-31)20-21-44(34)25-32(45)23-30(22-28-12-6-4-7-13-28)37(47)41-36-33-17-11-10-14-29(33)24-35(36)46/h4-17,30,32,34-36,45-46H,18-27H2,1-3H3,(H,41,47)(H,42,48)/t30-,32+,34+,35-,36?/m1/s1
InChiKey IUEDHFWXEUQWPL-XZPPUPPHSA-N
Formula C40H52N4O4 Molecular Weight 652.87
Cross Link CHEMBL347500
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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