CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161706" 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 CFAMM00161706
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL489580 External Source CHEMBL
PubChem CID 44579428 Functional Category Bioactive
Molecule Name AGN-PC-077LOL
IUPAC Name 4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
Synonyms CHEBI:591552;4-benzyl-N-methyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
InChi InChI=1S/C21H33N3O/c1-22(16-17-23-12-6-3-7-13-23)21(25)24-14-10-20(11-15-24)18-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3
InChiKey XSCNGNHXXLTFCK-UHFFFAOYSA-N
Formula C21H33N3O Molecular Weight 343.51
Cross Link CHEMBL489580
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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