CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00226183" 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 CFAMM00226183
Family CFFID1048 Beta-secretase 1 Inhibitor N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide Family
Superfamily CFSID855 Beta-secretase 1 and Histone deacetylase 1 Binder Superfamily
Class CFCID600 Class 1950
External ID CHEMBL515378 External Source CHEMBL
PubChem CID 44590596 Functional Category Bioactive
Molecule Name (3R)-3-amino-4-[(2S)-2-cyanopyrrolidin-1-yl]-N-(2,2-dimethyl-1-phenylpropyl)-4-oxobutanamide
IUPAC Name (3R)-3-amino-4-[(2S)-2-cyanopyrrolidin-1-yl]-N-(2,2-dimethyl-1-phenylpropyl)-4-oxobutanamide
Synonyms CHEBI:618212
InChi InChI=1S/C20H28N4O2/c1-20(2,3)18(14-8-5-4-6-9-14)23-17(25)12-16(22)19(26)24-11-7-10-15(24)13-21/h4-6,8-9,15-16,18H,7,10-12,22H2,1-3H3,(H,23,25)/t15-,16+,18?/m0/s1
InChiKey MDZKYXKTFWHKLJ-SWQDIRLTSA-N
Formula C20H28N4O2 Molecular Weight 356.46
Cross Link CHEMBL515378
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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