CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00247851" 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 CFAMM00247851
Family CFFID1707 Acetylcholinesterase and Cholinesterase Inhibitor 3-[7-(benzylmethylamino)-heptyloxy]xanthen-9-one Family
Superfamily CFSAD633 Muscarinic acetylcholine receptor Ligand Flavoxate Superfamily
Class CFCAD288 Class 288
External ID ZINC20646746 External Source ZINC
PubChem CID 29105000 Functional Category Natural Product
Molecule Name AGN-PC-05GIHV
IUPAC Name 3-(4-methoxyphenyl)-2-methyl-9-(2-morpholin-4-ylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one
Synonyms ZINC20646746;3-(4-methoxyphenyl)-2-methyl-9-(2-morpholin-4-ylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-4-one
InChi InChI=1S/C25H28N2O5/c1-17-23(18-3-5-19(29-2)6-4-18)24(28)20-7-8-22-21(25(20)32-17)15-27(16-31-22)10-9-26-11-13-30-14-12-26/h3-8H,9-16H2,1-2H3/p+1
InChiKey YLQJETARTIKUKR-UHFFFAOYSA-O
Formula C25H29N2O5+ Molecular Weight 437.51
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
 

 

26854 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', 'CFAMM00247851'),None, txtsearch, CFAMM00247851|