CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00421384" 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 CFAMM00421384
Family CFFBM13251 C-C chemokine receptor type 1 and Chemokine (C-C motif) receptor 1 ligand 2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxy-N-methylbenzamide family
Superfamily CFSBM5998 Cyclin-dependent kinase 1 and Cyclin-dependent kinase 2 Binder Superfamily
Class CFCAD288 Class 288
External ID ZINC04339582 External Source ZINC
PubChem CID 7197796 Functional Category Natural Product
Molecule Name (2Z)-2-[(4-fluorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one
IUPAC Name (2Z)-2-[(4-fluorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one
Synonyms AC1OI69A;(2Z)-2-[(4-fluorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one
InChi InChI=1S/C21H20FNO3/c22-15-6-4-14(5-7-15)12-19-20(25)16-8-9-18(24)17(21(16)26-19)13-23-10-2-1-3-11-23/h4-9,12,24H,1-3,10-11,13H2/p+1/b19-12-
InChiKey RKYMSWYPIJFOBE-UNOMPAQXSA-O
Formula C21H21FNO3+ Molecular Weight 354.39
Cross Link
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
 

 

27421 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', 'CFAMM00421384'),None, txtsearch, CFAMM00421384|