CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161731" 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 CFAMM00161731
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL50829 External Source CHEMBL
PubChem CID 22393378 Functional Category Bioactive
Molecule Name AGN-PC-03ONSF
IUPAC Name 1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea
Synonyms SureCN6329308;CHEBI:177137;1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(2-phenylethyl)urea
InChi InChI=1S/C24H32FN3O/c25-23-9-7-21(8-10-23)19-22-12-17-28(18-13-22)16-4-14-26-24(29)27-15-11-20-5-2-1-3-6-20/h1-3,5-10,22H,4,11-19H2,(H2,26,27,29)
InChiKey VKPCYODWIYLFDI-UHFFFAOYSA-N
Formula C24H32FN3O Molecular Weight 397.53
Cross Link CHEMBL50829
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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