CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00268205" 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 CFAMM00268205
Family CFFID2438 Serine/threonine-protein kinase Chk1 Inhibitor 6-(3-aminopropyl)benzo[h]isoquinolin-1(2h)-one Family
Superfamily CFSID1772 Serine/threonine-protein kinase Chk1 Inhibitor 6-(3-aminopropyl)benzo[h]isoquinolin-1(2h)-one Superfamily
Class CFCID1113 Class 2463
External ID CHEMBL249237 External Source CHEMBL
PubChem CID 44443526 Functional Category Bioactive
Molecule Name SureCN4293965
IUPAC Name 6-(2-aminoethyl)-9-[4-(morpholin-4-ylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one
Synonyms CHEBI:516099
InChi InChI=1S/C26H27N3O2/c27-9-7-21-15-22-8-10-28-26(30)25(22)24-16-20(5-6-23(21)24)19-3-1-18(2-4-19)17-29-11-13-31-14-12-29/h1-6,8,10,15-16H,7,9,11-14,17,27H2,(H,28,30)
InChiKey BMAVNUDMZFXDBM-UHFFFAOYSA-N
Formula C26H27N3O2 Molecular Weight 413.51
Cross Link CHEMBL249237
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
 

 

48680 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', 'CFAMM00268205'),None, txtsearch, CFAMM00268205|