CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161778" 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.

Search Results

CFAM Mol ID CFAMM00161778
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL376636 External Source CHEMBL
PubChem CID 16125623 Functional Category Bioactive
Molecule Name 3-[[4-(2-oxo-4,4-diphenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzonitrile
IUPAC Name 3-[[4-(2-oxo-4,4-diphenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzonitrile
Synonyms CHEBI:471457
InChi InChI=1S/C28H28N4O/c29-19-22-8-7-9-23(18-22)20-31-16-14-26(15-17-31)32-21-28(30-27(32)33,24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-13,18,26H,14-17,20-21H2,(H,30,33)
InChiKey QEVOAVBRSZFZGI-UHFFFAOYSA-N
Formula C28H28N4O Molecular Weight 436.55
Cross Link CHEMBL376636
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
 

 

27631 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00161778'),None, txtsearch, CFAMM00161778|