CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00259874" in compound.

Total 1 results found.

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 CFAMM00259874
Family CFFID2104 Dipeptidyl peptidase 4 Inhibitor N4-(4-chlorobenzyl)-2,4-diaminobutanoylpiperidine Family
Superfamily CFSAD539 Acetylcholinesterase Inhibitor Ambenonium Superfamily
Class CFCAD496 Class 496
External ID CHEMBL319350 External Source CHEMBL
PubChem CID 44330624 Functional Category Bioactive
Molecule Name 1-[(2S)-2-amino-4-[(4-chlorophenyl)methylamino]butanoyl]piperidine-2-carbonitrile
IUPAC Name 1-[(2S)-2-amino-4-[(4-chlorophenyl)methylamino]butanoyl]piperidine-2-carbonitrile
Synonyms CHEBI:262205
InChi InChI=1S/C17H23ClN4O/c18-14-6-4-13(5-7-14)12-21-9-8-16(20)17(23)22-10-2-1-3-15(22)11-19/h4-7,15-16,21H,1-3,8-10,12,20H2/t15?,16-/m0/s1
InChiKey BVDDYIAHKIERDK-LYKKTTPLSA-N
Formula C17H23ClN4O Molecular Weight 334.84
Cross Link CHEMBL319350
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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