CFam Chemical Families Database
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You are searching for "CFAMM00326877" 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 CFAMM00326877
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 CHEMBL253867 External Source CHEMBL
PubChem CID 25190486 Functional Category Bioactive
Molecule Name SureCN5224847
IUPAC Name 3-(1,1-dioxothiazinan-2-yl)-5-ethoxy-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide
Synonyms hydroxy ethylamine (HEA), 6
InChi InChI=1S/C31H36F3N3O5S/c1-2-42-27-18-24(17-26(19-27)37-13-6-7-14-43(37,40)41)30(39)36-28(16-22-9-4-3-5-10-22)29(38)21-35-20-23-11-8-12-25(15-23)31(32,33)34/h3-5,8-12,15,17-19,28-29,35,38H,2,6-7,13-14,16,20-21H2,1H3,(H,36,39)/t28-,29+/m0/s1
InChiKey OYLCLJYJJSLIFC-URLMMPGGSA-N
Formula C31H36F3N3O5S Molecular Weight 619.69
Cross Link CHEMBL253867
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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