CFam Chemical Families Database
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You are searching for "CFAMM00225880" in compound.

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CFAM Mol ID CFAMM00225880
Family CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class CFCCD46 Class 859
External ID CHEMBL336981 External Source CHEMBL
PubChem CID 44354763 Functional Category Bioactive
Molecule Name tert-butyl N-[(2S)-4-amino-1-[[(2S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2S)-4-amino-1-[[(2S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Synonyms
InChi InChI=1S/C37H46N4O7/c1-37(2,3)48-36(47)40-29(22-32(38)44)35(46)39-28(19-24-14-8-5-9-15-24)30(42)21-26(18-23-12-6-4-7-13-23)34(45)41-33-27-17-11-10-16-25(27)20-31(33)43/h4-17,26,28-31,33,42-43H,18-22H2,1-3H3,(H2,38,44)(H,39,46)(H,40,47)(H,41,45)/t26-,28+,29+,30?,31-,33+/m1/s1
InChiKey AURPJQJFRPDUHG-DXALZDKFSA-N
Formula C37H46N4O7 Molecular Weight 658.78
Cross Link CHEMBL336981
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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