CFam Chemical Families Database
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You are searching for "CFAMM00308302" in compound.

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CFAM Mol ID CFAMM00308302
Family CFFBM165 Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(3S,4R)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate family
Superfamily CFSBM51 Calpain-1 catalytic subunit and Pol polyprotein Binder Superfamily
Class CFCAD609 Class 609
External ID CHEMBL99949 External Source CHEMBL
PubChem CID 44333211 Functional Category Bioactive
Molecule Name tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(3R,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(3R,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
Synonyms
InChi InChI=1S/C33H40N2O6/c1-33(2,3)41-32(39)34-26(19-23-14-8-5-9-15-23)27(36)20-24(18-22-12-6-4-7-13-22)31(38)35-30-25-16-10-11-17-29(25)40-21-28(30)37/h4-17,24,26-28,30,36-37H,18-21H2,1-3H3,(H,34,39)(H,35,38)/t24-,26+,27+,28+,30+/m1/s1
InChiKey BXVIHKICSIIIDC-IRSSOGQRSA-N
Formula C33H40N2O6 Molecular Weight 560.68
Cross Link CHEMBL99949
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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