CFam Chemical Families Database
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You are searching for "CFAMM00310477" in compound.

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CFAM Mol ID CFAMM00310477
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 CHEMBL1209893 External Source CHEMBL
PubChem CID 10366180 Functional Category Bioactive
Molecule Name SureCN3167797
IUPAC Name N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-(3-ethylphenyl)cyclohexyl]amino]-3-hydroxybutan-2-yl]acetamide
Synonyms CHEBI:783701
InChi InChI=1S/C26H34F2N2O2/c1-3-19-8-7-9-21(12-19)26(10-5-4-6-11-26)29-17-25(32)24(30-18(2)31)15-20-13-22(27)16-23(28)14-20/h7-9,12-14,16,24-25,29,32H,3-6,10-11,15,17H2,1-2H3,(H,30,31)/t24-,25+/m0/s1
InChiKey QJBDADQASJTUQI-LOSJGSFVSA-N
Formula C26H34F2N2O2 Molecular Weight 444.56
Cross Link CHEMBL1209893
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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