CFam Chemical Families Database
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You are searching for "CFAMM00326871" in compound.

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CFAM Mol ID CFAMM00326871
Family CFFBM1733 Beta-secretase 1 and Beta-secretase 2 inhibitor SureCN5224847 family
Superfamily CFSBM203 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily
Class CFCBM78 Class 3128
External ID CHEMBL557352 External Source CHEMBL
PubChem CID 45273250 Functional Category Bioactive
Molecule Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-[(Z)-N-hydroxy-C-methylcarbonimidoyl]benzamide
IUPAC Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-[(Z)-N-hydroxy-C-methylcarbonimidoyl]benzamide
Synonyms CHEBI:667235
InChi InChI=1S/C31H36F2N4O6S/c1-20(36-40)23-14-24(16-27(15-23)37-8-3-4-9-44(37,41)42)31(39)35-29(13-22-10-25(32)17-26(33)11-22)30(38)19-34-18-21-6-5-7-28(12-21)43-2/h5-7,10-12,14-17,29-30,34,38,40H,3-4,8-9,13,18-19H2,1-2H3,(H,35,39)/b36-20-/t29-,30+/m0/s1
InChiKey MLQVWTFEORRPFZ-RQKIFUPDSA-N
Formula C31H36F2N4O6S Molecular Weight 630.70
Cross Link CHEMBL557352
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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