CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00438483" 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 CFAMM00438483
Family CFFBM16530 Sodium-dependent dopamine transporter and Muscarinic acetylcholine receptor M1 ligand AGN-PC-00QPGI family
Superfamily CFSID1751 Dipeptidyl peptidase 4 Inhibitor 1-benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-amine Superfamily
Class CFCAD48 Class 48
External ID CHEMBL256376 External Source CHEMBL
PubChem CID 44455717 Functional Category Bioactive
Molecule Name 2-[[butyl(piperidin-4-yl)amino]methyl]-4-chlorobenzonitrile
IUPAC Name 2-[[butyl(piperidin-4-yl)amino]methyl]-4-chlorobenzonitrile
Synonyms AGN-PC-076G0F;2-[[butyl(piperidin-4-yl)amino]methyl]-4-chlorobenzonitrile
InChi InChI=1S/C17H24ClN3/c1-2-3-10-21(17-6-8-20-9-7-17)13-15-11-16(18)5-4-14(15)12-19/h4-5,11,17,20H,2-3,6-10,13H2,1H3
InChiKey WRBDGYLHIMXOBQ-UHFFFAOYSA-N
Formula C17H24ClN3 Molecular Weight 305.85
Cross Link CHEMBL256376
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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