CFam Chemical Families Database
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You are searching for "CFAMM00404902" in compound.

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CFAM Mol ID CFAMM00404902
Family CFFBM10840 Pol polyprotein inhibitor L-689,502 family
Superfamily CFSBM103 Pol polyprotein and Matrix metalloproteinase-9 Binder Superfamily
Class CFCBM26 Class 3076
External ID CHEMBL297673 External Source CHEMBL
PubChem CID 5479391 Functional Category Bioactive
Molecule Name AC1L9RCU
IUPAC Name tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
Synonyms tert-butyl N-[(2S,3S,5S)-3-hydroxy-6-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
InChi InChI=1S/C39H49N3O8/c1-39(2,3)50-38(47)40-32(22-26-9-5-4-6-10-26)33(43)24-29(37(46)41-36-31-12-8-7-11-28(31)23-34(36)44)21-27-13-15-30(16-14-27)49-25-35(45)42-17-19-48-20-18-42/h4-16,29,32-34,36,43-44H,17-25H2,1-3H3,(H,40,47)(H,41,46)/t29-,32+,33+,34-,36?/m1/s1
InChiKey AKANIWCKOITLMP-OKPHKMHUSA-N
Formula C39H49N3O8 Molecular Weight 687.82
Cross Link CHEMBL297673
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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