CFam Chemical Families Database
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You are searching for "CFAMM00310472" 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 CFAMM00310472
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 CHEMBL169461 External Source CHEMBL
PubChem CID 44381648 Functional Category Bioactive
Molecule Name (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(1-naphthalen-2-ylethyl)butanamide
IUPAC Name (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(1-naphthalen-2-ylethyl)butanamide
Synonyms CHEBI:382840
InChi InChI=1S/C22H30N2O2/c1-15(18-12-11-17-9-5-6-10-19(17)14-18)24-22(26)21(25)20(23)13-16-7-3-2-4-8-16/h5-6,9-12,14-16,20-21,25H,2-4,7-8,13,23H2,1H3,(H,24,26)/t15?,20-,21+/m1/s1
InChiKey QZBJDJBZGPHHCG-CGDWMNPFSA-N
Formula C22H30N2O2 Molecular Weight 354.49
Cross Link CHEMBL169461
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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