CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00140977" 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 CFAMM00140977
Family CFFCD170 Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2 Ligand XL880 Family
Superfamily CFSCD155 Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2 Binder Superfamily
Class CFCCD125 Class 938
External ID CHEMBL1777831 External Source CHEMBL
PubChem CID 54582627 Functional Category Bioactive
Molecule Name AGN-PC-0A9RM2
IUPAC Name methyl 4-[[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoate
Synonyms CHEBI:1248000;methyl 4-[[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoate
InChi InChI=1S/C44H48N4O9/c1-52-19-20-55-21-22-56-23-24-57-41-28-35-29-48(18-15-31(35)27-40(41)53-2)17-14-30-6-10-36(11-7-30)46-42(49)34-8-12-37(44(51)54-3)39(26-34)47-43(50)33-9-13-38-32(25-33)5-4-16-45-38/h4-13,16,25-28H,14-15,17-24,29H2,1-3H3,(H,46,49)(H,47,50)
InChiKey FKTHCDIXZKIHTP-UHFFFAOYSA-N
Formula C44H48N4O9 Molecular Weight 776.87
Cross Link CHEMBL1777831
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
 

 

105375 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', 'CFAMM00140977'),None, txtsearch, CFAMM00140977|