CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00031903" 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 CFAMM00031903
Family CFFAD184 DNA Binder Primaquine Family
Superfamily CFSAD172 DNA Binder Primaquine Superfamily
Class CFCAD24 Class 24
External ID ZINC02137144 External Source ZINC
PubChem CID 1792578 Functional Category Natural Product
Molecule Name methyl 4-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)amino)-4-oxobutanoate
IUPAC Name methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate
Synonyms MLS001164862;STOCK1N-32962;MolPort-001-737-188;HMS2865E05;ZINC02137144;AKOS003368106;MCULE-4960830245;SMR000540090;methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate
InChi InChI=1S/C25H28N2O7/c1-30-20-11-15-8-9-26-19(17(15)13-22(20)32-3)10-16-12-21(31-2)23(33-4)14-18(16)27-24(28)6-7-25(29)34-5/h8-9,11-14H,6-7,10H2,1-5H3,(H,27,28)
InChiKey IVXKLEKGIHIHDY-UHFFFAOYSA-N
Formula C25H28N2O7 Molecular Weight 468.50
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
 

 

72509 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', 'CFAMM00031903'),None, txtsearch, CFAMM00031903|