CFam Chemical Families Database
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You are searching for "CFAMM00310476" in compound.

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CFAM Mol ID CFAMM00310476
Family CFFBM340 Beta-secretase 1 and Cathepsin D inhibitor (1R,3S)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide family
Superfamily CFSBM212 Pol polyprotein and Beta-secretase 1 Binder Superfamily
Class CFCAD607 Class 607
External ID CHEMBL1258119 External Source CHEMBL
PubChem CID 52945841 Functional Category Bioactive
Molecule Name SureCN8281763
IUPAC Name N-[(2S,3R)-4-[[1-(3-acetyl-5-tert-butylphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
Synonyms CHEBI:807126
InChi InChI=1S/C30H40F2N2O3/c1-19(35)22-14-23(29(3,4)5)16-24(15-22)30(9-7-6-8-10-30)33-18-28(37)27(34-20(2)36)13-21-11-25(31)17-26(32)12-21/h11-12,14-17,27-28,33,37H,6-10,13,18H2,1-5H3,(H,34,36)/t27-,28+/m0/s1
InChiKey WSTPAMKJZDFYIN-WUFINQPMSA-N
Formula C30H40F2N2O3 Molecular Weight 514.65
Cross Link CHEMBL1258119
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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