CFam Chemical Families Database
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You are searching for "CFAMM00226181" 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 CFAMM00226181
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 CHEMBL250400 External Source CHEMBL
PubChem CID 44443338 Functional Category Bioactive
Molecule Name 4-[[(3R,4R)-3-amino-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methyl]benzonitrile
IUPAC Name 4-[[(3R,4R)-3-amino-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methyl]benzonitrile
Synonyms CHEBI:515802
InChi InChI=1S/C17H22N4O/c18-9-13-3-5-14(6-4-13)10-20-11-15(16(19)12-20)17(22)21-7-1-2-8-21/h3-6,15-16H,1-2,7-8,10-12,19H2/t15-,16+/m1/s1
InChiKey MPPNBDLETVYQLF-CVEARBPZSA-N
Formula C17H22N4O Molecular Weight 298.38
Cross Link CHEMBL250400
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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