CFam Chemical Families Database
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You are searching for "CFAMM00439185" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00439185
Family CFFBM16734 Beta-secretase 1 inhibitor N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(N-methylsulfonylanilino)benzamide family
Superfamily CFSBM203 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily
Class CFCBM78 Class 3128
External ID CHEMBL539975 External Source CHEMBL
PubChem CID 16062196 Functional Category Bioactive
Molecule Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(N-methylsulfonylanilino)benzamide
IUPAC Name N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(N-methylsulfonylanilino)benzamide
Synonyms CHEBI:665428
InChi InChI=1S/C35H38F2N4O6S/c1-23(40-47-3)26-17-27(19-31(18-26)41(48(4,44)45)30-10-6-5-7-11-30)35(43)39-33(16-25-13-28(36)20-29(37)14-25)34(42)22-38-21-24-9-8-12-32(15-24)46-2/h5-15,17-20,33-34,38,42H,16,21-22H2,1-4H3,(H,39,43)/b40-23+/t33-,34+/m0/s1
InChiKey QSISXEMQSXRVSL-JXIRYUIFSA-N
Formula C35H38F2N4O6S Molecular Weight 680.76
Cross Link CHEMBL539975
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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